Computational and experimental analysis of catalyst-free and expeditious synthesis of Benzo[4,5]imidazo[2,1-b]thiazole derivatives

A greener and direct approach to the efficient synthesis of fused heterocyclic ring system benzo[4,5]imidazo[2,1-b]thiazoles via C–N and C–S bond formation in catalyst-free conditions has been reported using 2,2,2-trifluoroethanol (TFE) as a reaction medium at room temperature. The salient features of this approach include an elementary and clean reaction protocol to afford the desired product in higher yields in less reaction time with sufficient purity. This prominent moiety is frequently found in many natural bioactive occurring compounds and shows potential in synthesizing diverse biologically active compounds due to their therapeutic values. The synthesis of benzo[4,5]imidazo[2,1-b]thiazoles was confirmed by spectral analysis and also by DFT studies.