New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents

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-(cyanomet...

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Главные авторы:	Dotsenko, V. V., Доценко, В. В., Aksenov, N. A., Аксенов, Н. А., Aksenova, I. V., Аксенова, И. В.
Формат:	Статья
Язык:	English
Опубликовано:	Pleiades journals 2022
Темы:	3(5)-aminopyrazoles Calculated biological activity Dicyandiamide Pyrazolo[1,5-a]pyrimidines Quantum chemical studies
Online-ссылка:	https://dspace.ncfu.ru/handle/20.500.12258/19500
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id	ir-20.500.12258-19500
record_format	dspace
spelling	ir-20.500.12258-195002025-02-13T11:52:24Z New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents Dotsenko, V. V. Доценко, В. В. Aksenov, N. A. Аксенов, Н. А. Aksenova, I. V. Аксенова, И. В. 3(5)-aminopyrazoles Calculated biological activity Dicyandiamide Pyrazolo[1,5-a]pyrimidines Quantum chemical studies 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. 2022-04-25T12:13:09Z 2022-04-25T12:13:09Z 2022 Статья 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 http://hdl.handle.net/20.500.12258/19500 en Russian Journal of General Chemistry application/pdf application/pdf Pleiades journals
institution	СКФУ
collection	Репозиторий
language	English
topic	3(5)-aminopyrazoles Calculated biological activity Dicyandiamide Pyrazolo[1,5-a]pyrimidines Quantum chemical studies
spellingShingle	3(5)-aminopyrazoles Calculated biological activity Dicyandiamide Pyrazolo[1,5-a]pyrimidines Quantum chemical studies Dotsenko, V. V. Доценко, В. В. Aksenov, N. A. Аксенов, Н. А. Aksenova, I. V. Аксенова, И. В. New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents
description	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.
format	Статья
author	Dotsenko, V. V. Доценко, В. В. Aksenov, N. A. Аксенов, Н. А. Aksenova, I. V. Аксенова, И. В.
author_facet	Dotsenko, V. V. Доценко, В. В. Aksenov, N. A. Аксенов, Н. А. Aksenova, I. V. Аксенова, И. В.
author_sort	Dotsenko, V. V.
title	New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents
title_short	New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents
title_full	New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents
title_fullStr	New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents
title_full_unstemmed	New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents
title_sort	new heterocyclisation reactions of 5-amino-3-(cyanomethyl)-1h-pyrazole-4-carbonitrile with some 1,3-dielectrophilic agents
publisher	Pleiades journals
publishDate	2022
url	https://dspace.ncfu.ru/handle/20.500.12258/19500
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New Heterocyclisation Reactions of 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile with Some 1,3-Dielectrophilic Agents

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