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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.

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