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Rotational isomerism in 1-vinylpyrazoles and 1-vinylimidazoles from 1H and 13C NMR data and quantum-chemical calculations

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Chemistry of Heterocyclic Compounds Aims and scope

Abstract

A quantitative evaluation of the percentages of rotational isomers of 1-vinylpyrazoles and 1-vinylimidazoles was made on the basis of an analysis of the 1H and 13C NMR spectral parameters and quantum-chemical calculations. It is shown that the populations of the s-cis-(N(2), N(3)) and s-trans-(N(2), N(3)) forms in both the 1-vinylpyrazole and in the 1-vinylimidazole are approximately equal.

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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1346–1351, October, 1990.

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Afonin, A.V., Danovich, D.K., Voronov, V.K. et al. Rotational isomerism in 1-vinylpyrazoles and 1-vinylimidazoles from 1H and 13C NMR data and quantum-chemical calculations. Chem Heterocycl Compd 26, 1121–1125 (1990). https://doi.org/10.1007/BF00472182

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  • DOI: https://doi.org/10.1007/BF00472182

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