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Relevant bibliographies by topics / Aci-nitro tautomer

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Academic literature on the topic 'Aci-nitro tautomer'

Author: Grafiati

Published: 4 June 2025

Last updated: 1 August 2025

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Journal articles on the topic "Aci-nitro tautomer"

1

Rak, Janusz, Jerzy Byażejowski, and Randy J. Zauhar. "Studies on nitracrine and its nitro isomers devoted to tautomeric phenomena, structural and physicochemical features, as well as surrounding electrostatic potential." Canadian Journal of Chemistry 71, no. 8 (1993): 1106–22. http://dx.doi.org/10.1139/v93-147.

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Relative stabilities and features of tautomers of N,N-dimethyl-N′-(1-nitro-9-acridinyl)-1,3-propanediamine (known as nitracrine by the World Health Organization (WHO) or as Ledakrin in Poland), which exhibits antitumour activity, and its three nitro isomers were examined by AM1 and, in some cases, by PM3 and ab initio (STO-3G) methods. The lowest energy form of three compounds was always an imino tautomer, while the energy of the amino tautomers was a few kcal mol−1 higher and that of the aci forms (in the case of the 2- and 4-nitro isomers) was more than 25 kcal mol−1 higher. Each tautomer ca

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2

Cox, Robin A. "The decomposition of aliphatic N-nitro amines in aqueous sulfuric acid. Bisulfate as a nucleophile." Canadian Journal of Chemistry 74, no. 10 (1996): 1774–78. http://dx.doi.org/10.1139/v96-197.

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In aqueous sulfuric acid, aliphatic N-nitro amines decompose to N2O and alcohols. An excess acidity analysis of the observed rate constants for the reaction shows that free carbocations are not formed. The reaction is an acid-catalyzed SN2 displacement from the protonated aci-nitro tautomer, the nucleophile being a water molecule at acidities below 82–85% H2SO4, and a bisulfate ion at higher acidities. Bisulfate is the poorer nucleophile by a factor of about 1000. Twelve compounds were studied, of which results obtained for nine at several different temperatures enabled calculation of activati

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3

Dinh, Nguyen Huu, Trinh Thi Huan, Duong Ngoc Toan, Peter Mangwala Kimpende, and Luc Van Meervelt. "Isolation, structure, and properties of quinone-aci tautomer of a phenol-nitro compound related to eugenoxyacetic acid." Journal of Molecular Structure 980, no. 1-3 (2010): 137–42. http://dx.doi.org/10.1016/j.molstruc.2010.07.005.

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4

Koleva, Ana, Nevena Petkova-Yankova, and Rositca Nikolova. "Ultrasound-Assisted Metal-Mediated Method for the Formation of Tetrahydro-3,3′-Disubstituted Biscoumarins." Molecules 23, no. 11 (2018): 2810. https://doi.org/10.3390/molecules23112810.

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5

Salim, Bareehan M., and Salim M. Khalil. "MINDO-Forces Study on Substituted Nitromethane ⇋ aci-Nitromethane Tautomerism." Zeitschrift für Naturforschung A 60, no. 1-2 (2005): 47–53. http://dx.doi.org/10.1515/zna-2005-1-208.

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MINDO-Forces calculations with complete geometry optimization have been performed on nitromethane, aci-nitromethane and X-substituted nitromethane and aci-nitromethane (X = F, OH, NH2, CH3, CN, CF3, NO2, CHO). It is found that nitromethane is more stable than aci-nitromethane by 9.337 kcal/mol. This agrees with theoretical calculations. Thermodynamically, substituted aci-nitro tautomers are more stable than the corresponding nitromethane, except in case of the substituent F. Geometrical parameters, heats of formation, electron densities, Gibbs free energies and isodesmic reactions are reported

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6

La Penna, Giovanni, and Fabrizio Machetti. "Understanding the Exceptional Properties of Nitroacetamides in Water: A Computational Model Including the Solvent." Molecules 23, no. 12 (2018): 3308. http://dx.doi.org/10.3390/molecules23123308.

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Proton transfer in water involving C–H bonds is a challenge and nitro compounds have been studied for many years as good examples. The effect of substituents on acidity of protons geminal to the nitro group is exploited here with new p K a measurements and electronic structure models, the latter including explicit water environment. Substituents with the amide moiety display an exceptional combination of acidity and solubility in water. In order to find a rationale for the unexpected p K a changes in the (ZZ ′ )NCO- substituents, we measured and modeled the p K a with Z=Z ′ =H and Z=Z ′ =methy

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