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...
Zapisane w:
| Główni autorzy: | , , , , , |
|---|---|
| Format: | Статья |
| Język: | English |
| Wydane: |
Pleiades journals
2022
|
| Hasła przedmiotowe: | |
| Dostęp online: | https://dspace.ncfu.ru/handle/20.500.12258/19500 |
| Etykiety: |
Dodaj etykietę
Nie ma etykietki, Dołącz pierwszą etykiete!
|
| Streszczenie: | 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. |
|---|