Convenient Synthesis of Binary and Fused Pyrazole Ring Systems: Accredited by Molecular Modeling and Biological Evaluation
Eslam A. Ghaith, Hanafi H. Zoorob, Mona E. Ibrahim, Masaya Sawamura, Wafaa S. Hamama
Abstract
Abstract 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.
Topics & Concepts
PyrazoleDehydroacetic acidReagentRing (chemistry)ChemistrySelectivityCombinatorial chemistryBinary numberDensity functional theoryComputational chemistryOrganic chemistryMathematicsArithmeticCatalysisSynthesis and biological activityMulticomponent Synthesis of HeterocyclesSynthesis and Reactions of Organic Compounds