化学
核磁共振谱数据库
化学位移
非对映体
核磁共振波谱
谱线
分子
质子核磁共振
碳-13核磁共振
结晶学
碳-13核磁共振卫星
二维核磁共振波谱
核磁共振
立体化学
氟-19核磁共振
物理化学
有机化学
物理
天文
作者
Dan-yu Hua,Da-nian Yi,Jining Liu
出处
期刊:PubMed
[National Institutes of Health]
日期:2003-12-01
卷期号:38 (12): 946-9
被引量:1
摘要
To find the cause of abnormal NMR spectra of lomerizine dihydrochloride, cetirizine dihydrochloride and flenfluramine camphoramide.Hypothesizing, in given conditions, there are changes of stereoisomeric conformation and configuration in structure of N-containing compounds, it results in abnormality of NMR spectra. By using the method of NMR, it is confirmed credibily.The moving balance exists between two chair conformations in lomerizine dihydrochloride and cetirizine dihydrochloride. It causes that spin-nuclei of whole molecule are placed in two chemical circumstance. In solution of DMSO-d6, the speed of conformation reversal equals to the NMR time scale, so that chemical shift of spin-nuclei can not be definitely determined, peaks are broadened and even collapsed. After dropping D2O or increasing the temperature, the viscosity of the solution is decreased, the speed of reversal is quicker than NMR time scale, then normal spectra are obtained. Owing to the reversal of the three bonds of nitrogen in flenfluramine camphoramide is limited, other pair of diastereoisomer resulted from the asymmetric nitrogen can be detected by NMR. Multiplication of the peaks of 13CNMR is reasonably explained.
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