Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine

Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine Научная публикация

Журнал

Chemistry of Heterocyclic Compounds
ISSN: 0009-3122 , E-ISSN: 1573-8353

Вых. Данные

Год: 2020, Том: 56, Номер: 7, Страницы: 892-897 Страниц : 6 DOI: 10.1007/s10593-020-02749-7

Ключевые слова

DMAP; N-protonation; NMR; quantum-chemical calculations; simulation of NMR spectra; super acids

Авторы

Genaev A.M. ¹ , Salnikov G.E. ¹ , Koltunov K.Y. ^2,3

Организации

1	(Scopus) N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Branch of the Russian Academy of Sciences, 9 Akademika Lavrentieva Ave, Novosibirsk, 630090, Russian Federation
2	(Scopus) Novosibirsk State University, 2 Pirogova St, Novosibirsk, 630090, Russian Federation
3	(Scopus) Boreskov Institute of Catalysis, 5 Akademika Lavrentieva Ave, Novosibirsk, 630090, Russian Federation

[Figure not available: see fulltext.] By the example of 4-dimethylaminopyridine and some of its derivatives taken as model nitrogen heterocycles with several basic centers, the correlation of the parameters of the NMR spectra with the direction (regioselectivity) and multiplicity of protonation of these compounds in CF3COOH–CD2Cl2, TfOH–CD2Cl2, and FSO3H–SbF5 acid systems was studied. The established dependence of the spectral characteristics on the value of the introduced positive charge will be useful in studying the reactivity of similar heterocyclic systems in the presence of acidic agents. © 2020, Springer Science+Business Media, LLC, part of Springer Nature.

Genaev A.M. , Salnikov G.E. , Koltunov K.Y.
Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine
Chemistry of Heterocyclic Compounds. 2020. V.56. N7. P.892-897. DOI: 10.1007/s10593-020-02749-7 WOS Scopus РИНЦ

Опубликована в печати:	1 июл. 2020 г.
Опубликована online:	22 авг. 2020 г.

Web of science	WOS:000561722700002
Scopus	2-s2.0-85089738662
РИНЦ	45407668
OpenAlex	W3080841010