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Convenient Synthesis of Binary and Fused Pyrazole Ring Systems: Accredited by Molecular Modeling and Biological Evaluation
Author(s) -
Ghaith Eslam A.,
Zoorob Hanafi H.,
Ibrahim Mona E.,
Sawamura Masaya,
Hamama Wafaa S.
Publication year - 2020
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202004014
Subject(s) - pyrazole , dehydroacetic acid , reagent , ring (chemistry) , chemistry , selectivity , combinatorial chemistry , binary number , density functional theory , computational chemistry , organic chemistry , mathematics , arithmetic , catalysis
Binary and fused pyrazole ring systems have been synthesized through treatment of dehydroacetic acid (DHA) with different hydrazines. The geometrical studies were performed based on the density functional theory (DFT). This study assured the selectivity of chemical behavior of dehydroacetic acid towards binucleophilic reagent. Furthermore, the new synthesized compounds were evaluated antioxidant and anticancer agents.