Sur la Similitude des Déformations du Noyau Cyclohexanonique Induites par les Groupes Tertiobutyle et gem-Diméthyle |
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Authors: | M F Grenier-Loustalot P Iratabal A Lichanot F Metras |
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Institution: | M. F. Grenier-Loustalot,P. Iratçabal,A. Lichanot,F. Metras |
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Abstract: | X-ray and NMR (250 MHz) data for chlorinated 4,4-dimethylcyclohexanones lead to the following conclusions: carbonyl and chlorine substituent effects on 2J and 3J coupling constants are similar to those observed for 4-tert-butylcyclohexanones. In other respects, the gem dimethyl and the tert-butyl groups induce on the ring similar large 4J coupling constants (H-3′? C-3? C-4? C-5? H-5′); the results can be interpreted in terms of local gemoetric deformations and additivity of these deformations. The determination of dihedral angles by Lambert's method and from X-ray data shows the identity of the structures in the solid state and the dissolved state and confirms the great structural similarity between 4-tert-butyl- and 4,4-dimethylcyclohexanone derivatives. |
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