Please use this identifier to cite or link to this item:
https://dspace.ncfu.ru/handle/20.500.12258/19500
Title: | New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents |
Authors: | Dotsenko, V. V. Доценко, В. В. Aksenov, N. A. Аксенов, Н. А. Aksenova, I. V. Аксенова, И. В. |
Keywords: | 3(5)-aminopyrazoles;Calculated biological activity;Dicyandiamide;Pyrazolo[1,5-a]pyrimidines;Quantum chemical studies |
Issue Date: | 2022 |
Publisher: | Pleiades journals |
Citation: | Semenova, A. M., Gadzhiakhmedova, Y. R., Bespalov, A. V., Dotsenko, V. V., Aksenov, N. A., Aksenova, I. V. New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents // Russian Journal of General Chemistry. - 2022. - Том 92. - Выпуск 3. - Стр.: 367 - 382. - DOI10.1134/S1070363222030057 |
Series/Report no.: | Russian Journal of General Chemistry |
Abstract: | 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile enters into condensation reactions with β-diketones and dibenzalacetone to form 2-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile derivatives. The reaction with cyanoguanidine in an acid medium leads to the formation of 2,4-diamino-7-(cyanomethyl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile. Structure of the obtained compounds was confirmed by spectral data, as well as the results of a quantum chemical study of possible reaction routes for the reaction of 5-amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with benzoyltrifluoroacetone. Bioavailability parameters were predicted for the obtained products in silico, and possible protein targets were predicted by protein-ligand docking. |
URI: | http://hdl.handle.net/20.500.12258/19500 |
Appears in Collections: | Статьи, проиндексированные в SCOPUS, WOS |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
scopusresults 2151 .pdf Restricted Access | 951.33 kB | Adobe PDF | View/Open | |
WoS 1411 .pdf Restricted Access | 119.75 kB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.