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Conformational study of chiral acyclic ketones by 1H and 13C NMR. I. (±)‐2,2,6,6‐tetramethyl‐5‐phenylheptan‐3‐one

The conformational analysis of a chiral acyclic ketone with one asymmetric carbon, (±)‐2,2,6,6‐tetramethyl‐5‐phenylheptan‐3‐one, has been achieved for the first time by means of an x‐ray diffraction study and the analysis of 1H1H and 13C1H geminal and vicinal coupling constants and 13C1H direct coupling constants. The application of the Durette‐Horton, Pachler and Altona empirical equations supports the hypothesis of a marked predominance in solution of the conformation observed in the solid state.