Determination of tautomeric preference of fenobam in solution by high-resolution NMR spectroscopy

被引：0

作者：

Sha, Xuming ^{[1
]}

Chen, Shaodong ^{[2
]}

Zheng, Xiaojing ^{[1
]}

Ye, Xin ^{[2
]}

Zhang, Hailu ^{[2
]}

Huang, Shaohua ^{[1
,3
]}

机构：

[1] Ningbo Univ, Inst Drug Discovery Technol, Ningbo 315211, Peoples R China

[2] Chinese Acad Sci, Suzhou Inst Nanotech & NanoBion SINANO, Suzhou 215123, Peoples R China

[3] Ningbo Univ, Qian Xuesen Collaborat Res Ctr Astrochem & Space, Ningbo, Peoples R China

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2021年 / 59卷 / 06期

基金：

中国国家自然科学基金;

关键词：

C-13; H-1; fenobam; NMR Spectroscopy; NOESY; tautomer; theoretical calculation;

D O I：

10.1002/mrc.5127

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In this work, tautomeric preference of fenobam in solution was investigated by homonuclear and heteronuclear solution nuclear magnetic resonance (NMR) spectroscopy. H-1-H-1 nuclear Overhauser effect spectroscopy (NOESY) spectrum revealed that fenobam in liquid state exists exclusively in one of the two possible tautomeric structures, which was confirmed by H-1-C-13 HSQC and heteronuclear multiple bond correlation (HMBC) spectra. Moreover, difference between the two tautomeric structures was studied by theoretical calculations, which further proved the result obtained by the NMR experiments.

引用

页码：641 / 647

页数：7

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