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

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

Доступ к документу

10.1007/s10593-020-02749-7

Link to publication in Scopus

Fingerprint Подробные сведения о темах исследования «Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine». Вместе они формируют уникальный семантический отпечаток (fingerprint).

Цитировать

@article{7526864a9dcb4a4080a3a0e317a6d0e3,

title = "Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine",

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.",

keywords = "DMAP, N-protonation, NMR, quantum-chemical calculations, simulation of NMR spectra, super acids, CHEMICAL-SHIFTS, SPECTRA, COUPLING-CONSTANTS, CONVENTIONS",

author = "Genaev, {Alexander M.} and Salnikov, {George E.} and Koltunov, {Konstantin Yu}",

year = "2020",

month = jul,

day = "1",

doi = "10.1007/s10593-020-02749-7",

language = "English",

volume = "56",

pages = "892--897",

journal = "Chemistry of Heterocyclic Compounds",

issn = "0009-3122",

publisher = "Springer New York",

number = "7",

}

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

PY - 2020/7/1

Y1 - 2020/7/1

N2 - 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.

AB - 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.

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

UR - http://www.scopus.com/inward/record.url?scp=85089738662&partnerID=8YFLogxK

U2 - 10.1007/s10593-020-02749-7

DO - 10.1007/s10593-020-02749-7

M3 - Article

AN - SCOPUS:85089738662

VL - 56

SP - 892

EP - 897

JO - Chemistry of Heterocyclic Compounds

JF - Chemistry of Heterocyclic Compounds

SN - 0009-3122

IS - 7

ER -