Spectral study of the molecular structure of some 2-methylthio-6-methyl-4-alkyl- and alkylaminopyrimidines.

Shagidullin, A.; Katsyuba, S.; Avvakumova, L.; Chernova, A.; Mikhailov, A.; Reznik, V.

A number of 2-methylthio-6-methyl-4-alkyl- and alkylaminopyrimidines, as well as their salts produced by the reaction with methyl p-toluenesulfonate and trifluoroacetic acid, were investigated. The quantum chemical and experimental IR and Raman spectral methods were used to determine the preferential isomeric forms of the molecules of studied compounds, whose convenient spectral markers were revealed. The starting pyrimidines and their salts were found to exist predominantly as an amino form. The salt formation proceeds via the methylation (protonation) of the N atom of pyrimidine ring.

MOLECULAR structure; SALTS; SPECTRUM analysis; MOLECULAR spectroscopy; CHEMICAL structure

Russian Journal of General Chemistry, 2011, Vol 81, Issue 10, p2164

1070-3632

Academic Journal

10.1134/S1070363211100215