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Journal articles on the topic 'Heterocyclic compounds Spectra'

Author: Grafiati

Published: 4 June 2021

Last updated: 29 January 2023

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1

Shafi, S. Syed, R. Rajesh, R. Subaash, and S. Senthil kumar. "Analysis of New Piperidine Substituted Benzothiazole Crystalline Derivatives." Oriental Journal Of Chemistry 37, no. 5 (2021): 1158–66. http://dx.doi.org/10.13005/ojc/370521.

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Recently, heterocyclic compounds play important role in drug industries. The benzothiazole (BTA) is a bicyclic compound in heterocyclic because of their biological properties. In this paper the synthesis and characterization of benzothiazole were reported. The chemical structures of synthesized compounds were established based on spectral data of 1HNMR, 13CNMR, and IR. The mass of the novel compounds was established with the help of the LCMS test. The formation of the crystal was confirmed by powder XRD and the sharp peaks show the purity and crystalline nature of the samples. The photolumines

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2

Kumbhare, Santosh Laxman, and Yuvraj Khushal Meshram. "Microwave Assisted Synthesis Of Novel 2-Pyrazolines From Furan Based Chalcones and Study their Antimicrobial Actvity." Oriental Journal Of Chemistry 38, no. 5 (2022): 1306–10. http://dx.doi.org/10.13005/ojc/380530.

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Nitrogen heterocyclic compounds such as2-pyrazoline showing various pharmacological activities such as antibacterial, antifungal, antioxidant, antidepressant, anti-inflammatory, anticancer, and antitubercular activities. This promotes to synthesize 2-pyrazolines by the reaction of different substituted chalcones of 2-Acetyl Furan and hydrazinehydrate in the presence alcohol. Synthesized compound was confirmed by physical data such as melting point and various spectral analysis such as FTIR, NMR spectra. Antimicrobial activity of synthesized compound was evaluated. The results indicated that so

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3

Elsaiid, A. E., R. Walker, S. Weeks, A. P. D'Silva, and V. A. Fassel. "Site-Selective Shpol'skii Spectrometry of Sulfur-, Oxygen-, and Nitrogen-Containing Aromatic Compounds in Complex Samples." Applied Spectroscopy 42, no. 5 (1988): 731–40. http://dx.doi.org/10.1366/0003702884428969.

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Laser excited Shpol'skii spectrometry (LESS) was utilized to directly determine nitrogen (N-), oxygen (O-), and sulfur (S-) heterocyclic compounds in solvent refined coal (SRC-II), petroleum crude oil, and carbon black. Characteristic quasilinear LESS excitation and emission spectra of the heterocyclic compounds are presented for the first time under site-selective conditions. Deuterated analogs of dibenzothiophene and dibenzofuran were utilized for quantitation. Site-selective fluorescence spectra of aminopyrene derivatives of polycyclic aromatic compounds (PAC) are also presented for the fir

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4

Parveen, Mehtab, Afroz Aslam, Shahab A. A. Nami, and Musheer Ahmad. "Z-Acrylonitrile Derivatives: Improved Synthesis, X-ray Structure, and Interaction with Human Serum Albumin." Current Organic Synthesis 16, no. 8 (2020): 1149–60. http://dx.doi.org/10.2174/1570179416666191008085806.

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Aim and Objective: In the synthesis of heterocyclic compounds, acrylonitrile derivatives are the most important and appropriate precursors. These compounds are the most important intermediates and subunits for the enhancement of molecules having pharmaceutical or biological interests. Nitrogen-containing compounds have received extensive consideration in the literature over the years. Materials and Methods: A facile, economic and efficient method has been developed for the synthesis of acrylonitrile derivatives using p-nitrophenylacetonitrile and aromatic/heterocyclic aldehydes in the presence

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5

Zaki, Dr Remon M., Prof Adel M. Kamal El-Dean, Dr Nermin A. Marzouk, Prof Jehan A. Micky, and Mrs Rasha H. Ahmed. "A FACILE SYNTHESIS AND REACTIONS OF AMINO SELENOLO[2,3-b]PYRIDINE CARBOXYLATE." JOURNAL OF ADVANCES IN CHEMISTRY 12, no. 1 (2015): 3910–18. http://dx.doi.org/10.24297/jac.v12i1.845.

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Incorporating selenium metal bonded to the pyridine nucleus was achieved by the reaction of selenium metal with 2-chloropyridine carbonitrile 1 in the presence of sodium borohydride as reducing agent. The resulting non isolated selanyl sodium salt was subjected to react with various α-halogenated carbonyl compounds to afford the selenyl pyridine derivatives 3a-f which compounds 3a-d underwent Thorpe-Ziegler cyclization to give 1-amino-2-substitutedselenolo[2,3-b]pyridine compounds 4a-d, while the other compounds 3e,f failed to be cyclized. Basic hydrolysis of amino selenolo[2,3-b]pyridine carb

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6

Memarian, Hamid R., Mahdieh Kalantari, and Hassan Sabzyan. "NMR and DFT Studies of 2-Oxo-1,2,3,4-tetrahydropyridines: Solvent and Temperature Effects." Australian Journal of Chemistry 71, no. 5 (2018): 380. http://dx.doi.org/10.1071/ch18018.

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Various 5-carboethoxy-2-oxo-1,2,3,4-tetrahydropyridines and their corresponding oxidation products containing methoxy or nitro groups on different positions of the C4-aryl ring were synthesized and the effect of steric and electrostatic interactions of these aryl substituents on the characteristic peaks in 1H NMR spectra were investigated. In addition, the intermolecular interaction of the parent compound and its oxidized form with solvent was experimentally investigated. For this, 1H NMR spectra of these compounds at different concentrations and temperatures in [D6]DMSO and CDCl3 were investi

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7

Todorovskii, A. T., and S. Ya Plotkin. "Vibrational spectra of nitrogen-containing six-membered heterocyclic compounds." Journal of Applied Spectroscopy 48, no. 3 (1988): 285–90. http://dx.doi.org/10.1007/bf00663294.

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8

Alvarez, R. Martínez, A. Herrera Fernández, A. Sánchez Vázquez, J. J. Aladro Maroto, M. Chioua, and R. Chioua. "Mass spectra of important heterocyclic compounds: cycloalkane fused pyrimidines." Rapid Communications in Mass Spectrometry 13, no. 1 (1999): 79–83. http://dx.doi.org/10.1002/(sici)1097-0231(19990115)13:1<79::aid-rcm457>3.0.co;2-x.

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9

Humelnicu, Ionel, and Violeta Vasilache. "Synthesis and Structure of a New Class of Fused Heterocycle with 8,9-Dihydro-pyridazino[1,2,4]triazine Skeleton." Revista de Chimie 68, no. 6 (2017): 1159–62. http://dx.doi.org/10.37358/rc.17.6.5633.

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The synthesis and X-ray crystal structure of a new class of fused heterocycle with 8,9-dihydro-pyridazino[1,2,4]triazine type 2 is reported. The synthesis is facile and efficient and, the structure of compounds was proven by elemental and spectral analysis, the X-ray spectra including (for 2b). The compound crystallizes in the space group P21/N (monoclinic) with a = 9.0077(2) �, b = 10.20019(18) �, c = 14.0099(3) �, a= 90�, b = 89.768(2)�, g= 90�, V= 1287.22(5) and Z = 4. Accurate molecular parameters for the heterocyclic system were obtained from intensity data collected at 200(14) K. The mol

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10

Pozzo, Jean-Luc, André Samat, Robert Guglielmetti, Vladimir Lokshin, and Vladimir Minkin. "Furo-fused 2H-chromenes: synthesis and photochromic properties." Canadian Journal of Chemistry 74, no. 9 (1996): 1649–59. http://dx.doi.org/10.1139/v96-182.

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New photochromic chromenes annulated with a furan ring have been synthesized. Thus, suitable heterocyclic phenols react with different propargylic alcohols in acidic medium to give the corresponding ethers, which cyclize into benzopyrans by thermal Claisen rearrangement. This synthetic approach was found to lead to a mixture of linear and angular chromenes that is strictly related to the nature of the phenol. However, regiospecificity could be obtained by reacting β-phenylcinnamaldehyde, in refluxing aprotic nonpolar solvents, with titanium(IV) salts of the former phenols. Electrocyclization o

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11

Deev, Sergey L., Alexander S. Paramonov, Tatyana S. Shestakova, et al. "15N-Labelling and structure determination of adamantylated azolo-azines in solution." Beilstein Journal of Organic Chemistry 13 (November 29, 2017): 2535–48. http://dx.doi.org/10.3762/bjoc.13.250.

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Determining the accurate chemical structures of synthesized compounds is essential for biomedical studies and computer-assisted drug design. The unequivocal determination of N-adamantylation or N-arylation site(s) in nitrogen-rich heterocycles, characterized by a low density of hydrogen atoms, using NMR methods at natural isotopic abundance is difficult. In these compounds, the heterocyclic moiety is covalently attached to the carbon atom of the substituent group that has no bound hydrogen atoms, and the connection between the two moieties of the compound cannot always be established via conve

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12

Journal, Baghdad Science. "Synthesis of Some Heterocyclic Compounds Derived from 2-Mercapto Benzoxazole." Baghdad Science Journal 10, no. 3 (2013): 766–78. http://dx.doi.org/10.21123/bsj.10.3.766-778.

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New series of 2-mecapto benzoxazole derivatives (1-20) incorporated into fused to different nitrogen and suphur containing heterocyclic were prepared from 2-meracpto benzoxazole, when treated with hydrazine hydrate to afford 2-hydrazino benzoxazol (1). Compound (1) converted to a variety of pyridazinone andphthalazinone derivatives (2-4) by reaction with different carboxylic anhydride. Also, reaction of (1) with phenyl isothiocyanate and ethyl chloro acetate afforded 3-phenyl-1,3-thiazolidin-2,4-dione-2-(benzoxazole-2-yl-hydrazone) (6). Azomethines (7-10) were prepared through reaction of (1)

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13

Journal, Baghdad Science. "Synthesis and biological studies for some heterocyclic compounds derived from 2-Morpholino-1,8- naphthyridine-4-carboxylic acid." Baghdad Science Journal 10, no. 3 (2013): 758–65. http://dx.doi.org/10.21123/bsj.10.3.758-765.

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New heterocyclic compounds derived from 2-Morpholino-1,8-naphthyridine-4-carboxylic acid such as oxadiazolo, thiadiazolo – thione and triazolo-thione have been prepared and characterized on the basis of IR and 1H NMR spectra data. The hydrizide compound was utilized as a starting material for preparing of these compounds. The second part of this study involves the biological studies of some of these naphthyridine derivatives by using three different kinds of bacteria namely: Staphylococcus aureus, Pseudomonas aeruglnosa and Escherichia coli. The data indicated that some of these compounds have

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14

Ivanova, T. M., M. I. Bazanov, A. V. Petrov, and E. S. Yurina. "Macro-N-heterocyclic compounds: X-ray photoelectron spectra and structure." Russian Journal of Coordination Chemistry 32, no. 1 (2006): 71–74. http://dx.doi.org/10.1134/s107032840601012x.

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15

Askri, Sonia, Amal Dbeibia, Chadlia Mchiri, et al. "Antimicrobial Activity and In Silico Molecular Docking Studies of Pentacyclic Spiro[oxindole-2,3′-pyrrolidines] Tethered with Succinimide Scaffolds." Applied Sciences 12, no. 1 (2021): 360. http://dx.doi.org/10.3390/app12010360.

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Three-component cascade reactions of (E)-3-arylidene-1-methyl-pyrrolidine-2,5-diones, L-valine and various isatin derivatives are described. A series of 17 spiropyrrolidine derivatives with wide structural complexity and diversity have been thus obtained in moderate to excellent yields under mild reaction conditions. The structure and stereochemistry of these N-heterocyclic cycloadducts has been established by spectroscopic techniques and unambiguously confirmed by a single-crystal X-ray diffraction analysis performed on one derivative. UV-visible spectra have been recorded for all new compoun

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16

Abbood, Ammar Ferman, Ahmed M. Abdula, Ghosoun Laftaa Mohsen, and Younis Baqi. "Synthesis and Antimicrobial Activity of New Benzimidazole derivatives Bearing Five-Membered Heterocyclic Moieties." Al-Mustansiriyah Journal of Science 32, no. 4 (2021): 26–33. http://dx.doi.org/10.23851/mjs.v32i4.992.

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A new series of 2-substituted-1H-benzimidazol as potentially antimicrobial agents were designed, synthesized and characterized by IR, 1H-NMR and Mass spectra. The synthesized compounds were in vitro screened against Escherichia coli, Klebsiella spp. (gram negative), Staphylococcus aureus, Staphylococcus epidermidis (gram positive) as well as Candida albicans. The in vitro biological evaluation revealed that some of the target compounds exerted good antimicrobial activity. Noticeably, compound 11 exhibited promising activity against Staphylococcus aureus and Klebseilla SPP at 1 mg/mL concentrat

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17

Gupta, Pradeep Kumar, and Kishor Arora. "Studies on Simulation of Spectra of Some Organic Compounds." Oriental Journal of Chemistry 35, no. 6 (2019): 1655–68. http://dx.doi.org/10.13005/ojc/350606.

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Quantum chemical viz. ab initio or semi-empirical based simulation studies are now prevailing among workers / scientists pursuing their studies in theoretical chemistry. These studies provide better insight for the compounds so far as the studies of their structural orother parameters are concern. Studies involving the packages developed on the basis of ab-initio or semi-empirical methods are proven to be more effective and as a better tool because of number of their advantages. The present communication includes the studies on synthesis or procurement along with the simulation of spectra viz.

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18

Majed, Hadeel, and Firyal W. Askar. "Synthesis and biological evaluation of new Benzimidazole derivatives." Al-Mustansiriyah Journal of Science 29, no. 1 (2018): 107. http://dx.doi.org/10.23851/mjs.v29i1.127.

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Agroup of benzimidazole derivatives bearing different heterocyclic moieties such as Schiff bases, 2-azetidinone and 4-thiazolidinone were efficiently prepared. The structures of the newly compounds were characterized by FTIRand ¹H NMR spectra. The synthesized compounds were evaluated for their antimicrobial activities against gram-positive and gram negative bacteria and fungi using the microdilution procedure.

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19

Al-Smadi, Mousa L., Fatima Esmadi, Mohammad Al-Smadi, Karem H. Alzoubi, Osama Alzoubi, and Yousef S. Khader. "Synthesis, Characterization, and Antimicrobial Activity of New 1,2,3-Thiadiazole and 1,2,3-Selenadiazole Derivatives." Journal of Chemistry 2022 (September 7, 2022): 1–10. http://dx.doi.org/10.1155/2022/5228067.

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1,2,3-Thiadiazole, 1,2,3-selenadiazole, and semicarbazones that are prepared from ketones are promising moieties for lead compound development. New 1,2,3-thiadiazole (2c-4c) and 1,2,3-selenadiazole derivatives (2d–4d) were prepared from the corresponding semicarbazones (2b-4b). The semicarbazones (2b-4b) were prepared from the corresponding ketones (2a-4a). Characterization of the synthesized compounds was performed using infrared spectra (IR), proton nuclear magnetic resonance (1H-NMR) spectra, carbon nuclear magnetic resonance (13C-NMR), ultraviolet spectra, mass spectrometry, and elemental

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20

Nowak, Maciej Roman, Rafał Zdunek, Edward Pliński, et al. "Recognition of Pharmacological Bi-Heterocyclic Compounds by Using Terahertz Time Domain Spectroscopy and Chemometrics." Sensors 19, no. 15 (2019): 3349. http://dx.doi.org/10.3390/s19153349.

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In this study, we presented the concept and implementation of a fully functional system for the recognition of bi-heterocyclic compounds. We have conducted research into the application of machine learning methods to correctly recognize compounds based on THz spectra, and we have described the process of selecting optimal parameters for the kernel support vector machine (KSVM) with an additional `unknown’ class. The chemical compounds used in the study contain a target molecule, used in pharmacy to combat inflammatory states formed in living organisms. Ready-made medical products with similar

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21

Böhm, Stanislav, Mojmír Adamec, Stanislav Nešpůrek, and Josef Kuthan. "Photocolouration of 2,4,4,6-Tetraaryl-4H-pyrans and Their Heteroanalogues: Importance of Hypervalent Photoisomers." Collection of Czechoslovak Chemical Communications 60, no. 10 (1995): 1621–33. http://dx.doi.org/10.1135/cccc19951621.

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Molecular geometries of 2,4,4,6-tetraphenyl-4H-pyran (Ia), 4,4-(biphenyl-2,2e-diyl)-2,6-diphenyl-4H-pyran (Ib) and their heterocyclic isomers II-V were optimized by the PM3 method and used for the calculation of electronic absorption spectra by the CNDO/S-CI procedure. Comparison of the theoretical data with experimental UV-VIS absorption spectra made possible to select hypervalent molecules IIIa, IIIb, IVa and IVb being responsible for the photocolouration of 4H-pyrans Ia, Ib, while compounds Va, Vb, VI and VII come into account as possible photodegradation products. The bleaching process of

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22

GOKLANI, POONAM, and ANIL GUPTA. "Synthesis, Structural Characterization and Study of Biological Activity of Hydrazine Derivatives." Material Science Research India 14, no. 2 (2017): 190–93. http://dx.doi.org/10.13005/msri/140217.

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Hydrazide-hydrazone derivatives play vital role in development of various pharmacological activities such as anti-tubercular, antiproliferative and antitumor activities. Some novel biologically active Hydrazide derivatives substituted with heterocyclic moiety have been synthesized. All the synthesized compounds structures were confirmed by IR, NMR and Mass spectra. Synthesized compounds were subjected to antibacterial screening in vitro and biological activity in vivo.

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23

Sakhil, Abbas H., and Rasmia M. Rumez. "Synthesis, Characterization and Evaluation of Antimicrobial Activity of Few New Heterocyclic Compounds Derived from Nicotinic Acid." INTERNATIONAL JOURNAL OF DRUG DELIVERY TECHNOLOGY 12, no. 03 (2022): 970–76. http://dx.doi.org/10.25258/ijddt.12.3.08.

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New schiff bases series (VIII) a-e and 1,3-thiazolidin-4-one derivatives (IX) a-e containing the 1,2,4-triazole and 1,3,4-thiazazole rings were synthesized and screening their biological activities. These compounds were identified via Fourier transform infrared (FT-IR) spectra, some via Proton nuclear magnetic resonance (1H-NMR) and mass spectra. The biological results indicated that all of these compounds did not reveal antibacterial effectiveness against (Escherichia coli and Klebsiella species) (G-). Some of these compounds showed moderate antibacterial activity against (Staphylococcus aure

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24

Thomas, Daniel B., Cushla M. McGoverin, Kevin J. McGraw, Helen F. James, and Odile Madden. "Vibrational spectroscopic analyses of unique yellow feather pigments (spheniscins) in penguins." Journal of The Royal Society Interface 10, no. 83 (2013): 20121065. http://dx.doi.org/10.1098/rsif.2012.1065.

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Many animals extract, synthesize and refine chemicals for colour display, where a range of compounds and structures can produce a diverse colour palette. Feather colours, for example, span the visible spectrum and mostly result from pigments in five chemical classes (carotenoids, melanins, porphyrins, psittacofulvins and metal oxides). However, the pigment that generates the yellow colour of penguin feathers appears to represent a sixth, poorly characterized class of feather pigments. This pigment class, here termed ‘spheniscin’, is displayed by half of the living penguin genera; the larger an

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25

Kalampaliki, Amalia D., Sofia Kanellopoulou, and Ioannis K. Kostakis. "3,6-Dihydro-5H-pyrazolo [4’,3’:5,6]pyrano[3,4-b]indol-5-one." Molbank 2022, no. 3 (2022): M1412. http://dx.doi.org/10.3390/m1412.

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Pyrano [3,4-b]indol-1(9H)-ones and indolo [2,3-c]coumarins are important classes of heterocyclic compounds with versatile biological activities. Herein, we describe a straightforward and scalable synthesis of 3,6-dihydro-5H-pyrazolo [4’,3’:5,6]pyrano [3,4-b]indol-5-one, a pyrazolo-fused pyrano [3,4-b]indolone, via a three step approach including Fischer-indole synthesis and intramolecular esterification. The compound is fully characterized by means of 1H and 13C NMR spectra, using direct and long-range heteronuclear correlation experiments (HMBC and HMQC).

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26

Gupta, Pradeep Kumar, and Kishor Arora. "Comparative Studies of Infrared Spectral Simulation of Some Benzoyl Derivatives of N-Heterocyclic Compounds Using Semi-Empirical Methods." Asian Journal of Chemistry 32, no. 10 (2020): 2463–68. http://dx.doi.org/10.14233/ajchem.2020.22643.

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Simulation studies based on ab initio, semi-empirical or density functional (DFT) calculations are now becoming common among the researchers who are pursuing their intereset in theoretical chemistry. These studies are based on quantum chemical softwares. These studies provide better insight for the structural and other parameters of the compounds. The present paper includes the studies on synthesis or procurement along with the simulated IR spectra of some benzoyl derivatives of N-heterocyclic compounds viz. 2-aminopyridine, 4-aminoantipyrine, 2-aminopyrimidine or 3-aminopyridine using four di

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27

Patel1, Ankita S., Ujashkumar A. Shah2, Hirak V. Joshi, et al. "Design, synthesis and biological screening of novel heterocyclic ring derivatives as antibacterial agents." Journal of medical pharmaceutical and allied sciences 11, no. 2 (2022): 4650–56. http://dx.doi.org/10.55522/jmpas.v11i2.2623.

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For a long time, numerous attempts are being made by researchers to discover and develop new antimicrobial agents based on synthetic compounds and medicinal plants. These attempts were forced due to increasing rate of microbial resistance. In the present study, it has been discussed that the synthesis of various dihydropyrimidine fused with benzimidazole moiety. In which o-phenylenediamine and chloroacetic acid react in acidic medium by nucleophilic addition reaction to form 2-chloro methyl Benzimidazole. (1). The substituted Chalcone (2) was synthesized by a claisan-schmidt condensation react

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Yadav, Krishna, Abhishek Kumar, Sanchari Begam, et al. "Spectroscopic (FTIR, UV-Vis and NMR), theoretical investigation and molecular docking of substituted 1,8-dioxodecahydroacridine derivatives." Journal of the Serbian Chemical Society 85, no. 1 (2020): 53–66. http://dx.doi.org/10.2298/jsc181228102y.

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Recently, substituted 1,8-dioxodecahydroacridine derivatives have been investigated and found to possess a wide variety of biological and pharmacological activities. Two of these biologically relevant N-heterocyclic scaffolds, 2-(9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8- -octahydroacridin-10(9H)-yl)succinic acid (MTDOSA) and 2-(3,3,6,6-tetramethyl- 9-(4-nitrophenyl)-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridin-10(9H)-yl)- succinic acid (NTDOSA), have been studied in ground and first excited state using DFT method employing B3LYP/6-311++G(d,p) level of theory. Quantum che

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Gotsulya, A. S., A. I. Panasenko, E. G. Knysh, and A. O. Pryimenko. "UV-spectrophotometric study of the 7-((3-thio-4-R-1,2,4-triazole-3-yl)methyl)-theophyllines." Farmatsevtychnyi zhurnal, no. 4 (September 4, 2018): 65–70. http://dx.doi.org/10.32352/0367-3057.4.15.03.

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Chemistry of the 1,2,4-triazole derivatives recently attracts the attention of many scientists, mainly due to the presence of the number of the valuable pharmacological properties. In modern medical practice, there are many examples of successful heterocyclic systems derivatives usage. First of all, it is a group of drugs with antifungal activity (fluconazole, itraconazole, voriconazole, pozakonazol), antidepressant activity (alprazolam, triazolam), anticancer activity (anastrozole, letrozole). But despite the great practical importance of works in this area, the structure of 1,2,4-triazoles-3

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Melniciuc Puica, Nicoleta Melniciuc, Dan-Gheorghe Dimitriu, Gabriela Apreotesei, Ana Cezarina Moroșanu, and Dana-Ortansa Dorohoi. "Computational Study of Some 4’-Aryl-1,2,4-triazol-1-ium-4-R2-phenacylid Derivatives in Vacuum and Dimethylformamide." Symmetry 14, no. 10 (2022): 2099. http://dx.doi.org/10.3390/sym14102099.

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Four carbanion monosubstituted 4’-aryl-1,2,4-triazol-1-ium-4-R2-phenacylids, used as precursors in obtaining new heterocyclic compounds, and their corresponding derivatives belonging to the C2v point group of symmetry were studied by computational means in dimethylformamide (DMF) solutions compared with their isolated state. The changes in the computed parameters induced by the solvent compared with those of the isolated molecules were analyzed in this paper. The charge distribution and the molecular energies in the HOMO and LUMO, the electronic states responsible for the visible absorption ba

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31

Umapathi, Nalla, Pochampally Jalapathi, Matta Raghavender, and Bhookya Shankar. "Synthesis of (E)-1-(2,4-Bis((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)phenyl)- 3-phenylprop-2-en-1-one Derivatives and their Antimicrobial Activity." Asian Journal of Chemistry 33, no. 10 (2021): 2341–46. http://dx.doi.org/10.14233/ajchem.2021.23320.

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A new series of chalcone based bis 1,4-disubstituted 1,2,3-triazole heterocyclic molecules (6a-j) were synthesized via the reaction of 1-(2,4-bis((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)phenyl)ethanone (6a-e) with substituted benzaldehyde. All the molecules were characterized by IR, 1H and 13C NMR and MS spectra spectral data. Compounds 6a-j were evaluated for their antimicrobial effects using a broth disc diffusion method. The compounds were evaluated for their in vitro antimicrobial potential against Gram-positive (Micrococcus luteus, Methicillin-resistant Staphylococcus aureus, Bacillus sub

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Journal, Baghdad Science. "Synthesis of some heterocyclic derivatives of 1,8-Naphthyridine with a new substitution on the Naphthyridine ring." Baghdad Science Journal 10, no. 3 (2013): 749–57. http://dx.doi.org/10.21123/bsj.10.3.749-757.

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Abstract The Synthesis in good yields of some new 1,8-Naphthyridine derivatives (1-9) and characterized on the basis of IR and 1H NMR spectra data. The compounds (1) and (6) were utilized as a starting material for the preparing of these compounds.

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33

Köpf, Hartmut, and Hellfried Balz. "Synthese benzoverbrückter, fünfgliedriger ES2C2-Heterocyclen mit ECl-Baueinheiten (E = P, As, Sb, Bi) ausgehend von 1.2.4.5-Tetramercaptobenzol / Synthesis of Benzo-Bridged, Five-Membered ES2C2 Heterocycles with ECl Moieties (E = P, As, Sb, Bi) Starting from 1,2,4,5-Tetramercaptobenzene." Zeitschrift für Naturforschung B 49, no. 12 (1994): 1674–76. http://dx.doi.org/10.1515/znb-1994-1210.

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The benzo-bridged, heterocyclic compounds [E(Cl)S2-1,2]C6H2[4,5-S2E(Cl)] (E = P (1), As (2), Sb (3), Bi (4)) have been obtained as air-stable solids from the reaction of ECl3 with 1.2.4.5-(HS)4C6H2 in diethyl ether. 1-4 are insoluble in common solvents and have been characterized mainly by elemental analyses and their infrared and mass spectra.

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34

Abeed, Ahmed A. O., Gehad A. A. Jaleel, and Mohamed S. K. Youssef. "Novel Heterocyclic Hybrids Based on 2-Pyrazoline: Synthesis and Assessment of Anti-Inflammatory and Analgesic Activities." Current Organic Synthesis 16, no. 6 (2019): 921–30. http://dx.doi.org/10.2174/1570179416666190703115133.

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Aim and Objective: A series of new 2-pyrazoline analogues were synthesized. The structures of the synthesized compounds were elucidated by the analytical and spectroscopic data. Some selected compounds were screened for the anti-inflammatory activity by using animal model of carrageenan-induced paw edema in mice. Additionally, the analgesic and acute toxicity of these compounds were evaluated and exhibited reasonable results. The anti-oxidant and anti-inflammatory effects of these compounds were established by measuring the contents of malondialdehyde (MDA), reduced glutathione (GSH), nitric o

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35

Ivanova, T. M., M. I. Bazanov, A. V. Petrov, R. V. Linko, and K. M. Dyumaev. "X-ray photoelectron spectra and structure of cobalt compounds with N-heterocyclic ligands." Russian Journal of Inorganic Chemistry 51, no. 12 (2006): 1945–48. http://dx.doi.org/10.1134/s0036023606120163.

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36

Zinczuk, Juan, Rodolfo D. Bravo, Orfeo O. Orazi, and Renée A. Corral. "Mass spectra of heterocyclic compounds VI. 3,4-dihydro-1H-2,3-benzothiazine 2,2-dioxides." Organic Mass Spectrometry 25, no. 10 (1990): 517–21. http://dx.doi.org/10.1002/oms.1210251006.

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37

Bruckhuisen, Jonas, Sathapana Chawananon, Isabelle Kleiner, et al. "Millimeter-Wave Spectroscopy of Methylfuran Isomers: Local vs. Global Treatments of the Internal Rotation." Molecules 27, no. 11 (2022): 3591. http://dx.doi.org/10.3390/molecules27113591.

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Methylfurans are methylated aromatic heterocyclic volatile organic compounds and primary or secondary pollutants in the atmosphere due to their capability to form secondary organic aerosols in presence of atmospheric oxidants. There is therefore a significant interest to monitor these molecules in the gas phase. High resolution spectroscopic studies of methylated furan compounds are generally limited to pure rotational spectroscopy in the vibrational ground state. This lack of results might be explained by the difficulties arisen from the internal rotation of the methyl group inducing non-triv

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38

Bedair, A. H., Abd El-Wahab, A. M. El-Agrody, F. M. Ali, A. H. Halawa, and G. M. El-Sherbiny. "Binary heterocyclic systems containing the ethylideneamino linkage: synthesis of some new heterocyclic compounds bearing the naphtho-[2,1-b]furan moiety." Journal of the Serbian Chemical Society 71, no. 5 (2006): 459–69. http://dx.doi.org/10.2298/jsc0605459b.

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Ethylidene hydrazine (4a,b) and thiazolidin-4-one (5) derivatives were synthesized by the reaction of ethylidenethiosemicarbazide derivative (3a) with ?-haloketone/ethyl bromoacetate, respectively. Hetrocyclization of ethylideneacetohydrazide derivative (7) with o-phenolic aldehydes gave the corresponding coumarin derivatives (8,9). The interaction of 7 with acetylacetone afforded the corresponding pyridine derivative (10). Treatment of the arylidene derivative 11b with malononitrile afforded the corresponding pyran derivative (12). The new products 3-12 were subjected to IR, 1H NMR and mass s

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39

Scheffler, Klaus, Klaus Stolze, and Hartmut B. Stegmann. "Konformationsuntersuchungen an Tetrahydroisochinolin- und Tetrahydronaphthalin-Semichinonen durch ESR-Spektroskopie." Zeitschrift für Naturforschung A 40, no. 6 (1985): 619–26. http://dx.doi.org/10.1515/zna-1985-0613.

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Semiquinones of 6,7-dihydroxy- 1,2,3,4-tetrahydroisoquinolines and -naphthalenes are investigated by ESR-spectroscopy in the presence of diorganothalliumhydroxide. The ESR-spectra show a significant temperature dependence of the coupling constants of the β-methylene protons due to ring inversion of the partially hydrogenated ring. Computer simulation of the spectra gave the rate constants and the activation parameters for this ring inversion process. The heterocyclic compounds show considerably lower rate constants due to implication of N-inversion. In comparison to analogous cyclohexene-semid

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40

Fernández, Vicente, Moisés Morán, Juan Carlos Doadrio, Elke Conradi, Wolfgang Willing, and Ulrich Müller. "EPR-Spektren von Tetrachlorocupraten verschiedener Aminothiazoliumderivate. Die Kristallstrukturen von 2-Amino-2-thiazolinium-und 2-Amino-4-methylthiazoliumtetrachlorocuprat(II) / EPR Spectra of Tetrachlorocuprates of Several Aminothiazolium Derivatives. The Crystal Structures of 2-Amino-2-thiazolinium and 2-Amino-4-methylthiazolium Tetrachlorocuprate(II)." Zeitschrift für Naturforschung B 42, no. 1 (1987): 15–22. http://dx.doi.org/10.1515/znb-1987-0105.

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The tetrachlorocuprates. of the 2-aminothiazolium ion and of four of its substitution products, of 2-aminothiazolinium, and of 2-amino-4-carboxyl-thiazolidinium ions were prepared from the cor-responding heterocyclic bases, hydrochloric acid and copper(II) chloride in ethanol. The thermo-chromic compounds were characterized by their IR and electronic spectra. The EPR spectra of solutions, frozen solutions, and of the solids show the CuCl42- ion to have the structure of a flattened tetrahedron; in the case of some of the solids, distortions from D2d symmetry are observed. This was confirmed by

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41

Su, Biyun, Qiaoqiao Han, Xiaoteng Li, et al. "Synthesis, isomerization, and DFT studies of five-membered heterocyclic ketoximes." Journal of Chemical Research 45, no. 11-12 (2021): 1029–37. http://dx.doi.org/10.1177/17475198211032538.

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A homologous series of five-membered heterocyclic ketoximes is synthesized by condensation reactions of 2-acetylpyrrole, 2-acetylthiophene, and 2-acetylfuran with hydroxylamine hydrochloride. These compounds were fully characterized by X-ray single-crystal diffraction, elemental analysis, 1H NMR, IR, UV-Vis, and fluorescence spectra. Interesting isomerization phenomena are observed for these heterocyclic ketoximes by different characterization methods. By means of 1H NMR and X-ray single-crystal diffraction, it was found that 2-acetylpyrrole oxime (1) exists as the Z-type geometric isomer, 2-a

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42

Reheim, Mohamed A. M. A., Ibrahim S. A. Hafiz, and Hend S. E. A. Rady. "Utility of Diketone in Heterocyclic Synthesis: Synthesis of New Substituted Pyrimidines and Fused Pyrimidine of Potential Biosignificant Interest." Current Organic Synthesis 15, no. 8 (2018): 1171–81. http://dx.doi.org/10.2174/1570179415666180918161101.

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Aim and Objective: In this study, a new series of iminopyrimidine derivatives were synthesized from the reaction of the key intermediate 2-imino-6-phenyl-2,3-dihydropyrimidin-4(5H)-one 4 with a variety of electrophilic and nucleophilic reagents under a variety of mild conditions. The structures of the newly synthesized compounds were characterized on the basis of their elemental analysis and spectroscopic data. The antimicrobial activity of this series was evaluated in vitro and they showed either weak or moderate activities. Materials and Methods: All melting points were measured using Akofle

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43

Saroja, T., R. M. Ezhilarasi, V. Selvamani, and S. Mahalakshmi. "Synthesis, Characterization and In-Silico Analysis of New 2-Pyrazolines." Journal of Scientific Research 13, no. 1 (2021): 183–94. http://dx.doi.org/10.3329/jsr.v13i1.46995.

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Heterocyclic compounds such as pyrazolines, pyrimidines, oxazole and isoxazole exhibit different pharmacological activities. The current study involves synthesis of new 2-pyrazolines. The synthesis involves the cyclocondensation reaction of substituted chalcones with (4-fluorophenylthio)acetic acid hydrazide (FTAH) under reflux. The chalcones (C1-C7 / 1a-1g) were synthesized from the reaction of substituted acetophenone with substituted benzaldehyde and FTAH was prepared from 4-fluro thiophenol. New 2-pyrazolines were obtained in good yields (60-70 %). All the compounds were characterized by F

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44

Saroja, T., R. M. Ezhilarasi, V. Selvamani, and S. Mahalakshmi. "Synthesis, Characterization and In-Silico Analysis of New 2-Pyrazolines." Journal of Scientific Research 13, no. 1 (2021): 183–94. http://dx.doi.org/10.3329/jsr.v13i1.46995.

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Heterocyclic compounds such as pyrazolines, pyrimidines, oxazole and isoxazole exhibit different pharmacological activities. The current study involves synthesis of new 2-pyrazolines. The synthesis involves the cyclocondensation reaction of substituted chalcones with (4-fluorophenylthio)acetic acid hydrazide (FTAH) under reflux. The chalcones (C1-C7 / 1a-1g) were synthesized from the reaction of substituted acetophenone with substituted benzaldehyde and FTAH was prepared from 4-fluro thiophenol. New 2-pyrazolines were obtained in good yields (60-70 %). All the compounds were characterized by F

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45

Corban, Ghada J., Constantinos Antoniadis, Sotiris K. Hadjikakou, Nick Hadjiliadis, Jin-Fang Meng, and Ian S. Butler. "Pressure-Tuning Raman Spectra of Diiodine Thioamide Compounds: Models for Antithyroid Drug Activity." Bioinorganic Chemistry and Applications 2006 (2006): 1–5. http://dx.doi.org/10.1155/bca/2006/68542.

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The pressure-tuning Raman spectra of five solid, diiodine heterocyclic thioamide compounds (mbztS)I2(mbztS =N-methyl-2-mercaptobenzothiazole) (1);[(mbztS)2I]+[I7]−(2); (pySH)I2(pySH = 2-mercaptopyridine) (3);[(pySH)(pyS]+[I3]−(4); (thpm)(I2)2or possibly[(thpm)I2]+[I3]−(thpm = 2-mercapto-3,4,5,6-tertahydropyrimidine (5) have been measured for pressures up to∼50 kbar using a diamond-anvil cell. Compounds1,4, and5undergo pressure-induced phase transitions at∼35,∼25, and∼32 kbar, respectively. Following the phase transition in1, the pressure dependences of the vibrational modes, which were origina

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46

Moggach, Stephen A., Brian W. Skelton та Daven J. Foster. "Crystal structures of [μ2-(Ra ,Sa ,3aR,7aR)-1,3-bis(2,7-dicyclohexylnaphthalen-1-yl)octahydro-1H-benzo[d]imidazolidin-2-ylidene]chlorido(η4-1,5-cyclooctadiene)iridium dichloromethane monosolvate and [μ2-(Sa ,Sa ,3aR,7aR)-1,3-bis(2,7-dicyclohexylnaphthalen-1-yl)octahydro-1H-benzo[d]imidazolidin-2-ylidene]chlorido(η4-1,5-cyclooctadiene)iridium". Acta Crystallographica Section E Crystallographic Communications 76, № 10 (2020): 1543–47. http://dx.doi.org/10.1107/s2056989020011603.

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The title compounds, [Ir(C51H64N2)Cl(C8H12)]·CH2Cl2, (I), and [Ir(C51H64N2)Cl(C8H12)], (II), represent the first two examples of hexahydrobenzoimidazole-based N-heterocyclic carbene (NHC) iridium complexes. The diastereomeric complexes differing only in their axial chirality, which could be separated via column chromatography, show noticeable differences in their 1H NMR spectra. Compound (I) crystallizes in the monoclinic system (P21) with two independent complexes and two half-occupied dichloromethane molecules in the asymmetric unit, while compound (II) crystallizes in the orthorhombic syste

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47

Reheim, Mohamed Ahmed Mahmoud Abdel, Ibrahim Saad Abdel Hafiz, and Mohamed Ahmed Elian. "Synthesis and Antimicrobial Evaluation of Some Novel Pyrimidine, Pyrazole, Chromene and Tetrahydrobenzo[b]thiophene Derivatives Bearing Pyrimidinthione Moiety." Current Organic Synthesis 17, no. 7 (2020): 548–57. http://dx.doi.org/10.2174/1570179417666200628021125.

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Aim and Objective: A novel collection of fused pyrimidine, pyridine, pyrazole, chromene and thiophene derivatives 2-30 have been newly synthesized by using the 1a, b as starting material. Fused pyrane exhibits a range of pharmacological activity such as cancer agents [1], antimicrobial [2-4], antioxidant [5], antiproliferative [6], cytotoxic activity [7], anticipated antitumor [8], antiparkinsonian [9] and anti-inflammatory [10]. Moreover, pyrane derivatives are well known for bacterial biofilm disruptor [11], anticonvulsant [12] and inhibitors of mycobacterium bovis [13]. Materials and Method

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48

Reddy, K. R. Kishore Kumar, G. Syam Prasad, M. Anil Kumar, C. Suresh Reddy, and C. Naga Raju. "Synthesis and Biological Activity of Some new 2-Heterocyclic/acyclic amino/4'-acetamidophenoxy-3-(4-chloro-phenyl)-3, 4-dihydrobenzo[e]- [1,3,2]oxazaphosphinine 2-sulfides." E-Journal of Chemistry 5, s1 (2008): 1025–32. http://dx.doi.org/10.1155/2008/415030.

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2-Heterocyclic/acyclicamino/4'-acetamidophenoxy-3-(4-chlorophenyl)-3,4-dihydrobenzo-[e][1,3,2]oxazaphosphinine 2-sulfides (4a-j) were synthesized through a two steps process. In the first step, 2-chloro-3-(4-chlorophenyl)-3, 4-dihydrobenzo[e] [1,3,2]-oxazaphosphinine 2-sulfide (2) was prepared by the reaction of 2-[(4-chlorophenylamino)methyl]phenol (1) with thiophosphoryl chloride in the presence of triethylamine in dry toluene-tetrahydrofuran. In the second step, 2 was treated with various heterocyclic/acyclicamines/4'-acetamidophenol in presence of triethylamine-/ sodium hydride in toluene-

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ANDO, Shinji, and Mitsuru UEDA. "DFT Calculations of Photoabsorption Spectra for Alicyclic and Heterocyclic Compounds in the VUV Region." Journal of Photopolymer Science and Technology 16, no. 4 (2003): 537–44. http://dx.doi.org/10.2494/photopolymer.16.537.

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50

Journal, Baghdad Science. "Synthesis of Some Heterocyclic Compounds derived from 2-mercapto pyrimidine." Baghdad Science Journal 7, no. 2 (2010): 1014–22. http://dx.doi.org/10.21123/bsj.7.2.1014-1022.

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In this work 2-hydrazino pyrimidine (1) was prepared from 2-mercapto pyrimidine with hydrazine hydrate. Treatment of (1) with active methylene compounds gave 2-(3,5-dimethyl -1 H – Pyrazole-1-yl) pyrimidine , whereas the reaction of (1) with carboxylic anhydride namely maleic anhydride or 1,2,3,6-tetra hydro phthalic anhydride yielded 1-Pyrimidine-2-yl-1,2-dihydro pyridazine-3,6-dione (3) and 2 – Pyrimidin -2-yl -2,3,4 a ,5,8 a – hexahydro phthalazine 1,4 – dione (4) . Reaction of (1) with phenyl isothiocyanate and ethyl chloro acetate afforded 3-Phenyl-1,3-thiazolidine-2,4-dione-2( pyrimidine

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