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

Akbaş E. , Yıldız E., Erdoğan A.

Journal Of The Serbian Chemical Society, vol.4, no.85, pp.481-491, 2020 (Journal Indexed in SCI Expanded)

  • Publication Type: Article / Article
  • Volume: 4 Issue: 85
  • Publication Date: 2020
  • Doi Number: 10.2298/jsc190326081a
  • Title of Journal : Journal Of The Serbian Chemical Society
  • Page Numbers: pp.481-491

Abstract

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.