Synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo[1,5-a]pyrimidine derivatives

Abstract

Abstract: In this study, 4,7-dihydrotetrazolo [1 , 5 - a] pyrimidine derivatives (1–5) were prepared via Multicomponent Cyclocondensation Reactions (MCRs). All structures were determined by using FT-IR, 1H/ 13C NMR and elemental analyses. The compounds were investigated as corrosion inhibitors using density functional theory (DFT) at the level of B3LYP/6-31G (d, p). According to the calculations, compound 1 appears to be a good inhibitor for corrosion. In addition, the electrochemical properties of the novel systems were investigated by CV. Graphical Abstract:: The synthesis, characterization, quantum chemical studies and electrochemical performance of new 4,7-dihydrotetrazolo [1 , 5 - a] pyrimidine derivatives are reported. [Figure not available: see fulltext.].