Overcoming NMR line broadening of nitrogen containing compounds: A simple solution

被引:1
|
作者
Ma, Junhe [1 ,2 ]
Ye, Qingmei [1 ]
Green, Rebecca A. [1 ]
Gurak, John [1 ]
Ayers, Sloan [1 ]
Huang, Yande [1 ]
Miller, Scott A. [1 ]
机构
[1] Bristol Myers Squibb Co, Chem Proc Dev, New Brunswick, NJ USA
[2] Bristol Myers Squibb Co, Chem Proc Dev, 1 Squibb Dr, New Brunswick, NJ 08903 USA
关键词
isomerization; line broadening; NMR spectroscopy; prototropic tautomers; structural elucidation; NUCLEAR-MAGNETIC-RESONANCE; PROTOTROPIC TAUTOMERISM; STRUCTURE ELUCIDATION; 6-MEMBERED RINGS; CHEMICAL-SHIFTS; H-1-NMR; TECHNOLOGIES; PIPERAZINES; INVERSION; PROBE;
D O I
10.1002/mrc.5432
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This study presents a straightforward solution to the challenge of elucidating the structures of nitrogen containing compounds undergoing isomerization. When spectral line broadening occurs related to isomerization, be it prototropic tautomerism or bond rotations, this poses a significant obstacle to structural elucidation. By adding acids, we demonstrate a simple approach to overcome this issue and effectively sharpen NMR signals for acid stable prototropic tautomers as well as the conformational isomers containing a morpholine or piperazine ring. Unlocking isomerization mysteries: researchers in organic chemistry unveil a simple approach to resolve structural ambiguities arising from isomerization. By harnessing the power of acids, this innovative method enhances NMR signals, enabling precise characterization of acid-stable prototropic tautomers and conformational isomers with morpholine or piperazine rings. This work not only advances organic chemistry but also opens new horizons in structural elucidation, promising further revelations in molecular analysis.image
引用
收藏
页码:198 / 207
页数:10
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