Synthesis, Antimicrobial, Antioxidant Evaluation, and DFT Estimation of some New Cyclohexenone Derivatives Derived from Benzyloxy Chalcones

What is it about?

Abstract: Introduction: New cyclohexenone derivatives candidates were designed to discover their antioxidant and antibacterial activity potentials, respectively. Methods: Aldehydes with the diverse functional group were prepared from 4-hydroxy benzaldehyde and benzyl bromide and converted to chalcones by reaction with 4-substituted benzophenones and 2-acetyl naphthalene. When chalcone derivatives were subjected to ethyl acetoacetate, it produced new cyclohexenone derivatives through NaOH- catalyzed addition-ring closure reaction. The new compound structures were strengthened by their spectral information. The new compounds are examined for in vitro antifungal and antibacterial actions through broth microdilution technique, and they exhibited potential responses against various bacteria and fungi. Finally, HOMO-LUMO was calculated, which represents the quantum mechanical calculations of energies conducted by the theory of density functional (DFT) method based on the level of (B3LYP) with 6-31G (d, p) basis set.

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Why is it important?

composites with the (–F) group as a substituent on the para position were established to be the forceful derivatives against S. aureus, E. coli organism, and C Albicans since this compound could inhibit microbial and Fungai growth at lower concentrations compared to the standards (Ciprofloxacin HCl, and Fluconazole

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