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

Alexander M. Genaev; George E. Salnikov; Konstantin Yu Koltunov

doi:10.1007/s10593-020-02749-7

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

Alexander M. Genaev, George E. Salnikov, Konstantin Yu Koltunov

Кафедра органической химии ФЕН

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

1 Цитирования (Scopus)

Аннотация

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-SbF(5)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.

Язык оригинала	английский
Страницы (с-по)	892-897
Число страниц	6
Журнал	Chemistry of Heterocyclic Compounds
Том	56
Номер выпуска	7
DOI	https://doi.org/10.1007/s10593-020-02749-7
Состояние	Опубликовано - 1 июл 2020

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10.1007/s10593-020-02749-7

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abstract = "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-SbF(5)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.",

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Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine. / Genaev, Alexander M.; Salnikov, George E.; Koltunov, Konstantin Yu.

В: Chemistry of Heterocyclic Compounds, Том 56, № 7, 01.07.2020, стр. 892-897.

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

TY - JOUR

T1 - Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine

AU - Genaev, Alexander M.

AU - Salnikov, George E.

AU - Koltunov, Konstantin Yu

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Y1 - 2020/7/1

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KW - DMAP

KW - N-protonation

KW - NMR

KW - quantum-chemical calculations

KW - simulation of NMR spectra

KW - super acids

KW - CHEMICAL-SHIFTS

KW - SPECTRA

KW - COUPLING-CONSTANTS

KW - CONVENTIONS

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JO - Chemistry of Heterocyclic Compounds

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