A facile synthesis and antioxidant evaluation of conjugated 8‐azacoumarins based on DFT parameters.

A series of 8‐azacoumarin, naphthyridine, and dioxazphenalene derivatives bearing conjugated moieties were intended and prepared by a concise and smooth approach using grinding and ultrasonic irradiation. A sustainable one pot reactions have emerged and progressed smoothly as an efficient and eco‐safe methods in solvent less organic synthesis. The desired products were obtained in high yields, and the structures of all products were established on the basis of spectroscopic data and elemental analysis. Using the density functional theory (DFT) realized the electronic and structure characterization of synthesized azacoumarin. These heterocyclic compounds are chemically stable and are tested as antioxidants. Antioxidant potential was assessed using ABTS, and anti‐hemolytic activity was evaluated by induced peroxide hemolysis. They gave good antioxidant results that showed potency ranging from good azacoumarin analogues 8, 9, 13, 17, and 20, among compounds, showed much potency than that of commercial ascorbic acid. [ABSTRACT FROM AUTHOR]