Morpholine Based Tetrazole Hybrids as Anti-Oxidant Agents and Their Theoretical Studies

Using Cu-promoted regioselective N-arylation and C-N bond formation reactions, various tetrazole hybrids, designated 7a–l, were synthesized and evaluated for their in vitro antioxidant efficacy. Spectroscopic methods like 1H NMR, 13C NMR, IR, and LCMS were used for the characterization of the prepared compounds and all the data was in good agreement with the anticipated structures. The prepared compounds 7a-j were screened in vitro for antioxidant activity by DPPH radical scavenging method and the screening outcome revealed that the prepared compounds 7d, 7e and 7k are the most potent among all the examined compounds and the remaining compounds were moderately active. Moreover, the theoretically calculated HOMO-LUMO energies and their energy gap, hardness, softness, and chemical potential of the obtained chemical components 7a-j are investigated by using the model of B3lyp/6-31g(d,p) in the Gaussian package. The theoretical investigation reveals that the compounds 7d, 7e and 7k are chemically more reactive than other obtained tetrazole compounds.