Эта публикация цитируется в 2 статьях

Communications

Quantum-chemical study of the mechanism of aminomethylation of tetrazoles according to the elimination–addition scheme without preliminary formation of N-protonated azolium salts

L. I. Belen'kii^a, M. R. Radzhabov^ab, T. S. Pivina<sup>a

a</sup> N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
^b D.Mendeleev University of Chemical Technology of Russia, Moscow, Russian Federation

Аннотация: Based on analysis of quantum chemical DFT/B3LYP/6-31G(d) calculations results, thermodynamic characteristics of electrophilic dimethylaminomethylation of 1H-tetrazole and 1-methyl-tetrazole according to addition–elimination and elimination–addition schemes were correlated. The possibility of the dimethylaminomethylation without the preliminary formation of N-protonated azolium salts was demonstrated.

Язык публикации: английский

DOI: 10.1016/j.mencom.2018.09.034

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