Synthesis, characterization and theoretical studies of novel pyrimidine derivatives as potential corrosion inhibitors

Abstract

In this study, five new pyrimidine derivatives were synthesized and characterized by characterization methods such as 1H-NMR, 13C-NMR, FT- -IR and elemental analysis. The corrosion inhibition activity of the synthesized compounds was examined by theoretical calculation using DFT method at the level of B3LYP/6-31G (d,p). According to the calculations, 4-(6-benzoyl-2- -benzylidene-3-oxo-7-phenyl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-yl)- benzoic acid (6) appears to be a good inhibitor for corrosion.

Keywords

• corrosion inhibition
• dft
• pyrimidine
• characterization