Department of Chemistry and Research Centre, Nesamony Memorial Christian College, Marthandam-629 165, Dist-Kanyakumari (TN), India
Five-membered hetrocyclic moieties have been proved to possess strong biological activities. Hence a series of novel benzimidazolyl isoxazoles were synthesized by multi-step reaction from 2-acetyl benzimidazole and hydroxylamine hydrochloride as starting materials and structures characterized using NMR and mass spectroscopy. The anti-oxidant activities of the derivatives were determined by DPPH scavenging assay. The synthesized compounds showed remarkable antioxidant activity. The most active compound C3 was selected for DFT study to study the structure-activity relationship.
UPLC-TQD, DPPH, antioxidant, DFT, HOMO, LUMO
