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Carbon‐13 nuclear magnetic resonance spectra of aminocyclohexanecarbonitriles and comparison with phencyclidine analogues
Author(s) -
Bailey Keith,
Legault Donald
Publication year - 1981
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270150114
Subject(s) - phencyclidine , cyclohexane , cyclopentane , spectral line , chemistry , tertiary amine , nuclear magnetic resonance , amine gas treating , computational chemistry , stereochemistry , organic chemistry , physics , receptor , biochemistry , nmda receptor , astronomy
The 13 C NMR spectra of 20 aminocycloalkanecarbonitriles were determined in CDCl 3 . The signals were assigned by a self‐consistent analysis of chemical shift data and comparison with results from phencyclidine analogues. The results were interpreted in terms of changes in the amine (primary, secondary, tertiary) and the cycloakane (cyclohexane vs cyclopentane) moieties and their bulk. Changes in the conformational equilibria of the cyclohexane series are suggested by comparisons between data from the carbonitrile and phencyclidine series. The spectra are suitable for corroborative authentication of reference materials and the identification of unknowns.