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

Authors
STROHL D KLEINPETER E
Citation
D. Strohl et E. Kleinpeter, ACYCLIC STEREOCHEMICAL ANALYSIS .3. ESTIM ATION OF THE PREFERRED CONFORMERS OF SUBSTITUTED GAMMA-CHLOROPROPYL-METHYL ETHERS BY NMR-SPECTROSCOPY AND MOLECULAR MODELING, Journal fur praktische Chemie, Chemiker-Zeitung, 335(8), 1993, pp. 694-698
Citations number
8
Categorie Soggetti
Chemistry,"Chemistry Applied
Journal title
Journal fur praktische Chemie, Chemiker-Zeitung → ACNP
ISSN journal
09411216
Volume
335
Issue
8
Year of publication
1993
Pages
694 - 698
Database
ISI
SICI code
0941-1216(1993)335:8<694:ASA.EA>2.0.ZU;2-T
Abstract
The conformers of the various stereoisomers of a series of gamma-chlor opropyl methyl ethers 1-4 with 1, 2 and 3 chiral centres have been est imated by Molecular Modelling (MOBY) and the results compared with the data of previous H-1 and C-13 NMR studies. The calculations corrobora te former NMR results and the remarkable potential of both NMR spectro scopy and Molecular Modelling to assign even four diastereomers of acy clic molecules with three chiral centres.