ACYCLIC STEREOCHEMICAL ANALYSIS .3. ESTIMATION OF THE PREFERRED CONFORMERS OF SUBSTITUTED GAMMA-CHLOROPROPYL-METHYL ETHERS BY NMR-SPECTROSCOPY AND MOLECULAR MODELING

被引:1
|
作者
STROHL, D [1 ]
KLEINPETER, E [1 ]
机构
[1] MARTIN LUTHER UNIV HALLE WITTENBERG,FACHBEREICH CHEM,INST ANALYT CHEM,HALLE,GERMANY
来源
JOURNAL FUR PRAKTISCHE CHEMIE-CHEMIKER-ZEITUNG | 1993年 / 335卷 / 08期
关键词
D O I
10.1002/prac.19933350808
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
The conformers of the various stereoisomers of a series of gamma-chloropropyl methyl ethers 1-4 with 1, 2 and 3 chiral centres have been estimated by Molecular Modelling (MOBY) and the results compared with the data of previous H-1 and C-13 NMR studies. The calculations corroborate former NMR results and the remarkable potential of both NMR spectroscopy and Molecular Modelling to assign even four diastereomers of acyclic molecules with three chiral centres.
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页码:694 / 698
页数:5
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