Facile one-pot synthesis and in silico study of new heterocyclic scaffolds with 4-pyridyl moiety: Mechanistic insights and X-ray crystallographic elucidation

Facile one-pot synthesis and in silico study of new heterocyclic scaffolds with 4-pyridyl moiety: Mechanistic insights and X-ray crystallographic elucidation

4-Acetylpyridine 1 and malononitrile 2 were allowed to react in a 3MCRs with dimedone 3a or cyclohexa-1,3-dione 3b under reflux to afford 4-methyl-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4H-chromene derivatives 4a,b respectively. The mechanism of the reaction has been studied and the structures elucidat...

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Bibliographic Details
Main Authors:	Fathy M. Abdelrazek, Magdi E.A. Zaki, Sami A. Al-Hussain, Basant Farag, Ali M. Hebishy, Mohamed S. Abdelfattah, Safaa M. Hassan, Ahmed F. El-Farargy, Lyuba Iovkova, David Mross, Sobhi M. Gomha
Format:	Article
Language:	English
Published:	Elsevier 2024-04-01
Series:	Heliyon
Subjects:	4-Acetyl pyridine Chromenes X-ray crystallography Cyclization Molecular docking studies And in silico ADMET
Online Access:	http://www.sciencedirect.com/science/article/pii/S2405844024052526

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