Academic literature on the topic 'Aryl derivatives'

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Journal articles on the topic "Aryl derivatives"

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Bonnier, Catherine, David S. Josey, and Timothy P. Bender. "Aryl-Substituted Boron Subphthalocyanines and their Application in Organic Photovoltaics." Australian Journal of Chemistry 68, no. 11 (2015): 1750. http://dx.doi.org/10.1071/ch15381.

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A family of five axial aryl-substituted boron subphthalocyanine (BsubPc) derivatives bearing a hydrido, methyl, methoxy, phenyl, or fluoro substituent at the para position of the aryl were synthesised from Br-BsubPc and the corresponding aryl Grignard reagent in moderate yields. The physicochemical characterisation of these derivatives gave similar absorption, photoluminescence, and cyclic voltammetry profiles and photoluminescence quantum yields, indicating that the nature of the substituent at the para position does not influence the basic photophysical properties of this generic class of Bs
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Dey, Supriya, and Narayanaswamy Jayaraman. "Branching out at C-2 of septanosides. Synthesis of 2-deoxy-2-C-alkyl/aryl septanosides from a bromo-oxepine." Beilstein Journal of Organic Chemistry 8 (April 10, 2012): 522–27. http://dx.doi.org/10.3762/bjoc.8.59.

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This paper deals with the synthesis of 2-deoxy-2-C-alkyl/aryl septanosides. A range of such septanoside derivatives was synthesized by using a common bromo-oxepine intermediate, involving C–C bond forming organometallic reactions. Unsaturated, seven-membered septanoside vinyl bromides or bromo-oxepines, obtained through a ring expansion methodology of the cyclopropane derivatives of oxyglycals, displayed a good reactivity towards several acceptor moieties in C–C bond forming Heck, Suzuki and Sonogashira coupling reactions, thus affording 2-deoxy-2-C-alkyl/aryl septanosides. Whereas Heck and So
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Szalóki Vargáné, Dóra, László Tóth, Balázs Buglyó, et al. "[1,5]-Hydride Shift-Cyclization versus C(sp2)-H Functionalization in the Knoevenagel-Cyclization Domino Reactions of 1,4- and 1,5-Benzoxazepines." Molecules 25, no. 6 (2020): 1265. http://dx.doi.org/10.3390/molecules25061265.

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Domino cyclization reactions of N-aryl-1,4- and 1,5-benzoxazepine derivatives involving [1,5]-hydride shift or C(sp2)-H functionalization were investigated. Neuroprotective and acetylcholinesterase activities of the products were studied. Domino Knoevenagel-[1,5]-hydride shift-cyclization reaction of N-aryl-1,4-benzoxazepine derivatives with 1,3-dicarbonyl reagents having active methylene group afforded the 1,2,8,9-tetrahydro-7bH-quinolino [1,2-d][1,4]benzoxazepine scaffold with different substitution pattern. The C(sp3)-H activation step of the tertiary amine moiety occurred with complete reg
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Xie, Yang, Zhou Xu, Pei Hu, et al. "Synthesis of the Isodityrosine Moiety of Seongsanamide A–D and Its Derivatives." Marine Drugs 21, no. 7 (2023): 373. http://dx.doi.org/10.3390/md21070373.

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The concise and highly convergent synthesis of the isodityrosine unit of seongsanamide A–D and its derivatives bearing a diaryl ether moiety is described. In this work, the synthetic strategy features palladium-catalyzed C(sp3)–H functionalization and a Cu/ligand-catalyzed coupling reaction. We report a practical protocol for the palladium-catalyzed mono-arylation of β-methyl C(sp3)–H of an alanine derivative bearing a 2-thiomethylaniline auxiliary. The reaction is compatible with a variety of functional groups, providing practical access to numerous β-aryl-α-amino acids; these acids can be co
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Julianto, T. S., F. J. Rachmawaty, H. A. Tamhid, and B. S. Putri. "THE POTENTIAL ANTIMALARIAL DRUG OF ARYL AMINO ALCOHOL DERIVATIVES FROM EUGENOL: SYNTHESIS, in-vitro AND in-silico ANALYSIS OF BIOACTIVITY." RASAYAN Journal of Chemistry 16, no. 03 (2023): 1425–34. http://dx.doi.org/10.31788/rjc.2023.1636940.

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Malaria is a significant cause of death in numerous countries, and the discovery of effective drugs is crucial. In this research, a new method was employed to synthesize a derivative of aryl amino alcohol using eugenol. Initially, an epoxide compound called 2-methoxy-4-(oxiran-2-ylmethyl) phenol was synthesized from eugenol by reacting it with peroxyacetic acid in dichloromethane. Subsequently, the epoxide compound was subjected to a reaction with various amine compounds, including aniline, naphthylamine, and diphenylamine for 10 minutes under 100 W microwave conditions, resulting in the produ
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Bi, Xian-Jun, Luke T. Higham, Janet L. Scott, and Christopher R. Strauss. "Reactions of 2,6-Dibenzylidenecyclohexanone and its Derivatives in High-Temperature Water." Australian Journal of Chemistry 59, no. 12 (2006): 883. http://dx.doi.org/10.1071/ch06381.

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The reactivity of derivatives of 2,6-dibenzylidenecyclohexanone was investigated in water at 220–250°C under microwave conditions, without added catalyst. Retro-Claisen–Schmidt processes predominated. Hydrolytic attack at the benzylic position afforded a 2-benzylidenecyclohexanone derivative and liberated an aryl aldehyde. Dienones substituted with electron-withdrawing or -donating groups on the aryl rings were more susceptible to hydrolysis than was the parent 2,6-dibenzylidenecyclohexanone.
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El-Essawy, Farag A., Wael A. El-Sayed, Sherif A. El-Kafrawy, Asmaa S. Morshedy, and Adel-H. Abdel-Rahman. "Anti-Hepatitis B Virus Activity of New 1,2,4-Triazol-2-yl- and 1,3,4-Oxadiazol-2-yl-2-pyridinone Derivatives." Zeitschrift für Naturforschung C 63, no. 9-10 (2008): 667–74. http://dx.doi.org/10.1515/znc-2008-9-1010.

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A number of 1,3,4-oxadiazole, 3 - 9, and 1,2,4-triazole derivatives, 13 - 15, were synthesized starting form the acid hydrazide 1. The 1,3,4-thiadiazole derivative 12 was prepared from the substituted phenylthiosemicarbazide derivative 11 by treatment with sulfuric acid. The aryl hydrazone derivatives 10a - c were synthesized by reaction of the hydrazide 1 with the corresponding ketones. The thioalkyl derivatives 16a - e were prepared by akylation of the thiol derivatives 3 and 13 with different alkylating agents. The newly synthesized compounds were tested for their anti-HBV activity and some
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Soni, Love Kumar, Tamanna Narsinghani, and Rica Jain. "Synthesis and Antibacterial Screening of Some 1-Aroyl-3-aryl Thiourea Derivatives." ISRN Medicinal Chemistry 2014 (January 29, 2014): 1–6. http://dx.doi.org/10.1155/2014/393102.

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A series of 1-aroyl-3-aryl thioureas derivatives were synthesized and evaluated for antibacterial activity. The results indicated that the compounds possessed higher activity against gram-negative bacteria than gram-positive bacteria. Amongst all these compounds, C18 (89.4%) exhibited the greatest antibacterial activity against gram-negative bacteria while C5 (85.6%) displayed maximum antibacterial activity against gram-positive bacteria. Preliminary study of the structure-activity relationship revealed that an electronic factor on aryl rings had a great effect on the antibacterial activity of
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Liu, Feng, Haiyan Diao, and Zhangjie Shi. "Biaryl Construction Based on Nickel-Catalyzed C–O Bond Activation." Synlett 32, no. 15 (2021): 1494–512. http://dx.doi.org/10.1055/a-1349-3543.

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AbstractNickel-catalyzed carbon–oxygen bond activation is one of the most powerful strategies for the direct construction of various biaryl compounds. Under nickel catalysis, efficiently produced and naturally abundant arenol-based electrophiles can be activated and coupled with different aryl nucleophiles, including nucleophiles containing magnesium, zinc, boron, etc., to produce biaryl structural units. This Account summarizes recent progress on biaryl synthesis via nickel-catalyzed C–O bond activation.1 Introduction2 Coupling of Arenols and Arenol Derivatives with Aryl Magnesium Reagents3 C
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Patel, H. S., and H. D. Desai. "Synthesis of Some New Azetidinone Derivatives Containing Aryl Sulfonyloxy Group." E-Journal of Chemistry 1, no. 4 (2004): 194–98. http://dx.doi.org/10.1155/2004/258752.

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Some novel azetidinone derivatives containing aryl sulfonyloxy group have been prepared. The 4-sulfonyloxy aniline derivative (2) has been prepared by reaction of 4-nitro phenol (sodium salt) with N-acetyl sulfanilyl chloride (ASC) followed by hydrolysis by ethanolic HCl. This compound (2) undergoes facile condensation reaction with aromatic aldehydes to yield different Schiff’s bases (3a-h). Cyclocondensation of compounds (3a-h) with chloro acetyl chloride yields different 2-azetidinone derivatives (4a-h).
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Dissertations / Theses on the topic "Aryl derivatives"

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Seganish, William Michael. "Development of aryl siloxane cross-coupling technology and its application to the synthesis of colchicine and allocolchicine derivatives." College Park, Md. : University of Maryland, 2005. http://hdl.handle.net/1903/3063.

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Thesis (Ph. D.)--University of Maryland, College Park, 2005.<br>Thesis research directed by: Chemistry. Title from t.p. of PDF. Includes bibliographical references. Published by UMI Dissertation Services, Ann Arbor, Mich. Also available in paper.
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Odabas, Serhat. "Asymmetric Synthesis Of N-aryl Substituted Chiral 1,4-amino Alcohol Derivatives And Applications In Various Asymmetric Transformation Reactions." Master's thesis, METU, 2007. http://etd.lib.metu.edu.tr/upload/12608489/index.pdf.

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The asymmetric synthesis of N-aryl substituted chiral 1,4-aminoalcohols and their applications in asymmetric borane reduction and enantioselective diethylzinc addition to benzaldehyde reactions were performed starting from meso anhydride 51 that is the cycloadduct of cyclopentadiene and maleic anhydride. The desymmetrization of meso-anhydride 51 was achieved by using quinine or quinidine with very high enantiomeric excess value (up to 98% ee) and with high chemicalb yield. The quinine-mediated desymmetrization of meso-anhydride 51 with methanol gave (2S,3R)-(-)-cis-monoester 52. The hemiester
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Baeza, Mario Ivan. "Synthesis and characterization of acetylenic derivatives of the actinide extractant (aryl)-N,N-di-(alkyl)carbamoylmethylphosphine oxide (CMPO)." To access this resource online via ProQuest Dissertations and Theses @ UTEP, 2008. http://0-proquest.umi.com.lib.utep.edu/login?COPT=REJTPTU0YmImSU5UPTAmVkVSPTI=&clientId=2515.

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Zhu, Chongwei. "Advances in the coordination chemistry of nitroaromatic phosphines : synthesis and supramolecular chemistry of alkyl/aryl carbo-benzene derivatives." Thesis, Toulouse 3, 2017. http://www.theses.fr/2017TOU30281/document.

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Le manuscrit est divisé en six chapitres et deux parties indépendantes, la première étant consacrée à l'étude de l'effet de substituants nitro sur des ligands phosphines aromatiques (L). Une série de (N-phényl-benzimidazol-1-yl)diphénylphosphines substituées par 1 à 3 groupes nitro à différentes positions des noyaux N-phényle et benzimidazolyle, a été synthétisée, et comparée au parent non nitré et à l'homologue N-méthyl-benzimidazolium cationique. Dans les complexes trans-L2RhICl(CO) correspondants, des variations faibles mais systématiques de la fréquence d'élongation C=O IR et du déplacemen
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Gormen, Meral. "Synthesis Of Ferrocenyl Substituted Pyrazoles." Master's thesis, METU, 2005. http://etd.lib.metu.edu.tr/upload/3/12606358/index.pdf.

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Pyrazoles have been studied for over a century as an important class of heterocyclic compounds and continue to attract considerable interest due to the broad range of biological activities they possess. The incorporation of the essential structural features of pyrazoles with a ferrocene moiety could provide new derivatives with unexpected and/or enhanced biological activities since several ferrocene derivatives have already been shown to be active against a number of tumors. For this reason, we investigated the synthesis of ferrocenyl-substituted pyrazoles, such as 1-alkyl/aryl-5-ferrocenylpyr
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Xue, Jiadan. "Time-resolved resonance raman and density functional theory studies of selected arylnitrenium ions and their reactions with guanosine derivatives and aryl azides." Click to view the E-thesis via HKUTO, 2008. http://sunzi.lib.hku.hk/hkuto/record/B41290914.

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Vigano', M. "SYNTHESIS AND APPLICATIONS OF NEW LIGANDS OF THE BIAN FAMILY: FROM HYDROGENATED DERIVATIVES TO NEW CHIRAL BIANS." Doctoral thesis, Università degli Studi di Milano, 2013. http://hdl.handle.net/2434/214935.

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Synthesis of new reduced Ar-BIANH2 compounds, investigations of the reactivity and applications of the so obtained compounds as ligands for transition metal complexes. Synthesis of new chiral Alkyl and Aryl-BIAN.
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Dejneka, S. Y., V. K. Svizhak та V. O. Chornous. "Search of substances with antimicrobial properties among the derivatives of 2,4-disubstitutive 3-(1-aryl-imidazole-5-іl)propen-1-ions and propane-1-ions". Thesis, БДМУ, 2017. http://dspace.bsmu.edu.ua:8080/xmlui/handle/123456789/12364.

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Manoso, Amy Slover. "Hypercoordinate silicon compounds In organic synthesis improved methods for the synthesis of aryl(trialkoxy)silane derivatives ; and trimethylsilyl cyanide as a cyanide source for nucleophilic substitution /." College Park, Md. : University of Maryland, 2004. http://hdl.handle.net/1903/1664.

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Thesis (Ph. D.)--University of Maryland, College Park, 2004.<br>Thesis research directed by: Chemistry. Title from t.p. of PDF. Includes bibliographical references. Published by UMI Dissertation Services, Ann Arbor, Mich. Also available in paper.
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Findik, Hamide. "Potassium Permanganate/ Carboxylic Acid/ Organic Solvent: A Powerful Reagent For C-c Bond Formation, Aryl Coupling Reactions And Enone Oxidation Ipso-nitration Of Arylboronic Acids With Silver Nitrite/ Tmscl." Phd thesis, METU, 2009. http://etd.lib.metu.edu.tr/upload/12610472/index.pdf.

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The first part of the thesis presents the KMnO4/ carboxylic acid/ organic solvent which is a powerful reagent for C-C bond formation, aryl coupling reactions and enone oxidation. The a&cent<br>-acetoxylation of enones and the a-acetoxylation of aromatic ketones were carried out with potassium permanganate and acetic acid, in which acetoxylation products were obtained in 74-96% yields. The same reaction was carried out with carboxylic acids other than acetic acid, which furnished corresponding acyloxy ketones with the same regioselectivity. For the first time, formyloxylation products were synt
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Books on the topic "Aryl derivatives"

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Fazio, Robert. Mechanism of ring closure of aryl biguanide derivatives to isoammelines ; Benzylation of dicyandiamide. 1987.

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Book chapters on the topic "Aryl derivatives"

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Aune, Jean Pierre, Henri Jean-Marie Dou, and Jacqueline Crousier. "Alkyl, Aryl, Aralkyl, and Related Thiazole Derivatives." In Chemistry of Heterocyclic Compounds: A Series Of Monographs. John Wiley & Sons, Inc., 2008. http://dx.doi.org/10.1002/9780470187081.ch4.

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Tong, Bin, and Yuping Dong. "Aggregation-Induced Emission and Applications of Aryl-Substituted Pyrrole Derivatives." In Aggregation-Induced Emission: Fundamentals. John Wiley and Sons Ltd, 2013. http://dx.doi.org/10.1002/9781118735183.ch24.

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Song, Ren-Jie, and Jin-Heng Li. "Copper-Catalyzed Alkynylation, Alkenylation, and Allylation Reactions of Aryl Derivatives." In Copper-Mediated Cross-Coupling Reactions. John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118690659.ch11.

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Shang, Rui. "Palladium-Catalyzed Decarboxylative Couplings of Nitrophenyl Acetate Salts and Its Derivatives with Aryl Halides." In Springer Theses. Springer Singapore, 2016. http://dx.doi.org/10.1007/978-981-10-3193-9_7.

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Cassayre, Jérôme, Ottmar Hüter, Dave Hughes, et al. "Synthesis and Insecticidal Activity of New 2-Aryl-3,5-dihydro-2H-1,4-Benzoxazepine Derivatives." In ACS Symposium Series. American Chemical Society, 2015. http://dx.doi.org/10.1021/bk-2015-1204.ch028.

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Fournier, Diane, Pierre-Alain Breuil, and Donald Poirier. "Synthesis of aryl sulfamate and phenol small peptide derivatives using a multidetachable sulfamate linker strategy." In Advances in Experimental Medicine and Biology. Springer New York, 2009. http://dx.doi.org/10.1007/978-0-387-73657-0_101.

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Jouvin, Kévin, Céline Guissart, Cédric Theunissen, and Gwilherm Evano. "Emerging Areas in Copper-Mediated Trifluoromethylations OF ARYL DERIVATIVES: Catalytic and Oxidative Cross-Coupling Processes." In Copper-Mediated Cross-Coupling Reactions. John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118690659.ch14.

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Batey, Robert A. "Nucleophilic Addition Reactions of Aryl and Alkenylboronic Acids and Their Derivatives to Imines and Iminium Ions." In Boronic Acids. Wiley-VCH Verlag GmbH & Co. KGaA, 2006. http://dx.doi.org/10.1002/3527606548.ch7.

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Tidwell, T. T. "Alkyl(aryl)- and Aryl(vinyl)ketenes." In Three Carbon-Heteroatom Bonds: Thio-, Seleno-, and Tellurocarboxylic Acids and Derivatives; Imidic Acids and Derivatives; Ortho Acid Derivatives. Georg Thieme Verlag KG, 2006. http://dx.doi.org/10.1055/sos-sd-023-00424.

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Barrett, Graham c. "Modifications of the aryl substituents of ß-aryl a-amino acids." In Amino Acid Derivatives. Oxford University PressOxford, 1999. http://dx.doi.org/10.1093/oso/9780198558538.003.0016.

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Abstract Phenylalanine and tyrosine have the conventional chemistry of benzene and phenol, respectively when their amino and carboxy groups are protected. Similarly, histidine and tryptophan have the typical behaviour of a 4-substituted imidazole and a 3-substituted indole, respectively.
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Conference papers on the topic "Aryl derivatives"

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Soriaga, Manuel P., G. M. Berry, C. Bhardwaj, et al. "Chemisorption of Organic Molecules on Metal Electrode Surfaces." In CORROSION 1990. NACE International, 1990. https://doi.org/10.5006/c1990-90300.

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Abstract The chemisorption of various organic functional groups from aqueous solutions onto smooth single-crystal and polycrystalline electrodes, and the resistance of the resulting monolayer intermediates towards electrochemical oxidation have been studied; these investigations were motivated by the need to understand, at the atomic level, metal passivation by monolayer organic coatings. The electrodes employed were Rh, Pd, Ir, Pt, and Au whose anodic dissolution is preceded by surface-oxide formation even in highly acidic media. Resistance towards anodic oxidation can thus be associated with
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Silva, Júlia Akiyama da, Leonardo De Boni, Alessandra Pazini, and Jones Limberger. "Controlling Two Photon Brightness of Benzothiadiazol Derivatives Through Aggregation." In Frontiers in Optics. Optica Publishing Group, 2022. http://dx.doi.org/10.1364/fio.2022.jtu5a.56.

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Molecules containing benzothiadiazole moieties were photophysically characterized. The quantum yields of fluorescence ranged depending on the aryl-aryloxy substituted group and aggregation formation, it was unveiled brightness properties relationship with aggregation for application in bioprobes.
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Oumessaoud, Asmaa, Jamila Bouali, Salha Hamri, et al. "Efficient Synthesis of New Pyrazoles Derivatives via Functionalized Aryl-Sydnones." In 1st International Electronic Conference on Catalysis Sciences. MDPI, 2020. http://dx.doi.org/10.3390/eccs2020-07565.

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Ullah, Ahsan, Md Rakib Hossain, and Nazia Chawdhury. "Theoretical Investigation of Optoelectronic Properties of Aryl Substituted Pentacene Derivatives." In 2022 International Conference on Recent Progresses in Science, Engineering and Technology (ICRPSET). IEEE, 2022. http://dx.doi.org/10.1109/icrpset57982.2022.10188533.

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Ridzuan, M. S. M., M. Z. Jaafar, and M. M. Zain. "Quantitative structure-activity relationship (QSAR) modelling of N-aryl derivatives as cholinesterase inhibitors." In 2012 IEEE Symposium on Humanities, Science and Engineering Research (SHUSER). IEEE, 2012. http://dx.doi.org/10.1109/shuser.2012.6269006.

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Farhan, Ali M., and Nabeel Abid Abdul-Rida. "New bi aryl amide derivatives of steroid analoge via Suzuki reaction synthesis and characterization." In 2ND INTERNATIONAL CONFERENCE OF MATHEMATICS, APPLIED SCIENCES, INFORMATION AND COMMUNICATION TECHNOLOGY. AIP Publishing, 2023. http://dx.doi.org/10.1063/5.0161531.

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Mostafavi, Hossein, and Rasul Khandan Bejandi. "Synthesis of Novel 1,3-Indandione Derivatives and Investigation Their Anti-Microbial and Anti-Fungal Activity." In 5th World Conference on Chemistry and Chemical Engineering and 5th World Conference on Advanced Materials, Nanoscience and Nanotechnology. Eurasia Conferences, 2024. https://doi.org/10.62422/978-81-970328-7-5-026.

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1,3 -Indanedione derivatives, which are of wide interest because of their diverse biological and chemical applications. A series of novel 1,3-Indanedione derivatives are synthesized via KNOEVENAGEL condensing reaction mechanism by condensing 1,3-Indanedione with diverse aryl aldehydes using2-hydroxyethyammonium formate as ionic liquid and catalyst. All the synthetic derivatives were fully characterized by spectral analysis data (FT-IR, 1H- 13C-NMR and elemental analysis). This series of 7 compounds were tested for in vitro anti-bacterial activity against Gram- negative Escherichia coli ATCC 25
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Anichina, K. "SYNTHESIS AND ANTINEMATODAL ACTIVITY STUDIES OF SOME FUSED TRIAZINOBENZIMIDAZOLES." In International Trends in Science and Technology. RS Global Sp. z O.O., 2020. http://dx.doi.org/10.31435/rsglobal_conf/30122020/7351.

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4-Aryl-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazole-2-amines 3a-f were synthesized in the reaction of cyclocondensation between 2-guanidinobenzimidazole and versatilebenzaldehydes. Structures of all prepared compounds were confirmed by IR, 1H NMR spectroscopyand elemental analysis.Antinematodal activity in vitro of the substances was investigated using isolated Trichinella spiralis muscle larvae. The tested triazonobenzimidazoles showed different activity depending on the substituent R in their moleculeas the derivatives substituted with a hydroxyl group demonstrated the best anti-Trichinell
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Waghulde, Sandeep, Ganesh Lonsane, Varsha Borwandkar Borwandkar, and Sachin Laddha. "Synthesis and Anti-inflammatory Activity of Novel 2-(Substituted Alkyl or Aryl Pyridynyl) Benzimidazole Derivatives." In The 16th International Electronic Conference on Synthetic Organic Chemistry. MDPI, 2012. http://dx.doi.org/10.3390/ecsoc-16-01060.

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Ochoa, Estael, Claudia Canaan, Yamila Verdecia, et al. "Synthesis and antimicrobial evaluation of 4-aryl-4,5-dihydro- 1H-1,5-benzodiazepin-2-ol derivatives." In 14th Brazilian Meeting on Organic Synthesis. Editora Edgard Blücher, 2013. http://dx.doi.org/10.5151/chempro-14bmos-r0049-1.

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Reports on the topic "Aryl derivatives"

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Ruangpornvisuti, Vithaya. A Study of conformational equilibrium of semicarbazone derivatives and their complexes with cations : research report. Chulalongkorn University, 2006. https://doi.org/10.58837/chula.res.2006.36.

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The structure optimizations of picolinaldehyde N-oxide thiosemicarbazone (Hpiotsc), 2-benzoylpyridine semicarbazone (H2BzPS), their imino tautomers and their complexes with Ni(II), Cu(II) and Zn(II) were carried out using DFT calculations at the B3LYP/LANL2DZ level of theory. Thermodynamic properties of tautomerizations of Hpiotsc and H2BzPS and complexations of their complexes derived from the frequency calculations at the same level were obtained. The B3LYP/LANL2DZ-optimized geometry parameters for the complexes of [[Ni(Hpiotsc)[subscript 2]][superscript 2+]], [Cu(Hpiotsc).Cl[subscript 2]] a
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