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

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

Journal

Mendeleev Communications
ISSN: 1364-551X , E-ISSN: 0959-9436

Output data

Year: 2018, Volume: 28, Number: 5, Pages: 548-550 Pages count : 3 DOI: 10.1016/j.mencom.2018.09.034

Authors

Belen’kii Leonid I. ¹ , Radzhabov Maxim R. ¹ , Pivina Tatyana S. ¹

Affiliations

1	N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation

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.

Belen’kii L.I. , Radzhabov M.R. , Pivina T.S.
Quantum-chemical study of the mechanism of aminomethylation of tetrazoles according to the elimination–addition scheme without preliminary formation of N-protonated azolium salts
Mendeleev Communications. 2018. V.28. N5. P.548-550. DOI: 10.1016/j.mencom.2018.09.034 WOS Scopus OpenAlex

Web of science:	WOS:000448100900034
Scopus:	2-s2.0-85054335300
OpenAlex:	W2894760985

DB	Citing
OpenAlex	2
Scopus	2
Web of science	1