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Conformational Preferences for 3-Piperideines: An Ab Initio and Molecular Mechanics Study

✍ Scribed by Anatoly M. Belostotskii; Michael Shokhen; Hugo E. Gottlieb; Alfred Hassner

Publisher: John Wiley and Sons
Year: 2001
Tongue: English
Weight: 205 KB
Volume: 7
Category: Article
ISSN: 0947-6539
DOI: 10.1002/1521-3765(20011105)7:21<4715::aid-chem4715>3.0.co;2-l

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✦ Synopsis

Conformational preferences in alkyl-as well as Ph-substituted 3-piperideines (1,2,3,6-tetrahydropyridines) have been characterized by ab initio and molecular mechanics calculations. A set of rules and subrules for estimation of the conformational equilibrium (in terms of preferred substituent orientation) in these systems, with differently positioned ring substituent (-s), is presented. Examples of the revision of some previous stereochemical assignments demonstrate the reliability of these rules.

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