Molecular structure of methyl phenylpyruvates studied by 1 H NMR and IR spectroscopies and quantum mechanical calculations

HH Lee, T Takai, H Senda, A Kuwae, K Hanai

Index: Lee; Takai; Senda; Kuwae; Hanai Journal of Molecular Structure, 1998 , vol. 449, # 1 p. 69 - 75

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Citation Number: 4

Abstract

Molecular structure of methyl phenylpyruvate (MPP) and its p-substituted derivatives has been investigated by 1H NMR and IR spectroscopies. The spectral data point out that MPPs take the enol form both in solution and in the solid state. The ab initio calculations were carried out in order to get information on the configurational and conformational preferences in the enol form. It is suggested from the calculation that the inter-and intra-molecular ...