Abstract
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 N1 atom of pyrimidine ring.
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Original Russian Text © A.R. Shagidullin, S.A. Katsyuba, L.V. Avvakumova, A.V. Chernova, A.S. Mikhailov, V.S. Reznik, 2011, published in Zhurnal Obshchei Khimii, 2011, Vol. 81, No. 10, pp. 1712–1719.
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Shagidullin, A.R., Katsyuba, S.A., Avvakumova, L.V. et al. Spectral study of the molecular structure of some 2-methylthio-6-methyl-4-alkyl- and alkylaminopyrimidines. Russ J Gen Chem 81, 2164–2171 (2011). https://doi.org/10.1134/S1070363211100215
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DOI: https://doi.org/10.1134/S1070363211100215