Investigation of the reactions of pyrimidine derivative compounds with sodium azide and investigation of their theoretical calculations

In this study, by the reaction of Biginelli reaction method which is one of the multikomponent ringing reaction methods, it was done by desulfurization with sodium azide on the nitrogen atom at the 3 position with the sulfur contained in the 2 position of the thiopyrimidine derivative compounds obtained by reaction of thiourea, dibenzoylmethane and various aromatic aldehydes. As a result of the reaction, various dihydrotetrazolopyrimidine derivative compounds were obtained depending on the aromatic aldehyde used. The elements were analyzed by using elemental analysis and IR, 1H, 13C NMR spectroscopic methods. At the same time, the electronic structures of all compounds were analyzed with the Gaussian package program using the Density Functional Theory (DFT) method, the 6-31G (d, p) base set and the B3LYP functions. Since the presence of both electron density nitrogen and oxygen atoms and π electrons in the synthesized compounds gave the impression that the compounds may have corrosion inhibition effects, the corrosion inhibition effects of the related compounds were theoretically examined.