Journal of the Chemical Society. Perkin transactions II p. 93 - 96 (1985)
Update date:2022-07-30
Topics:
Bergman, Jan
Sand, Peter
Ethyl 2-nitrophenylpyruvate anions have o-quinonoid nitronate structures while their corresponding acids are aromatic α-enol and/or α-keto-esters.A semiempirical quantum chemical study of the different tautomers of these systems using HAM/3 has suggested a non-planar ring conformation of the nitronic acids and the nitronates.The presence of a hydrogen bond between 6-H and its neighbouring carbonyl oxygen in the title compound is inferred by an unusually low field proton resonance.
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