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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| Hlavní autoři: | , , , , , |
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| Médium: | Статья |
| Jazyk: | English |
| Vydáno: |
Pleiades journals
2022
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| Témata: | |
| On-line přístup: | https://dspace.ncfu.ru/handle/20.500.12258/19500 |
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| Shrnutí: | 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. |
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