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Conformational isomerization of 4-methyl-1,3-dioxane

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Chemistry of Heterocyclic Compounds Aims and scope

The whole possible course of conformational isomerization of 4-methyl-1,3-dioxane has been established using empirical (MM+) and nonempirical [STO-3G, 3-21G, 6-31G(d) and 6-31G(d,p)] approximations within the limits of the Hartree-Fock method. It was shown that the potential energy surface of this compound contains a principal (equatorial chair conformer) and local minima corresponding to the axial chair conformer and series flexible forms.

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Authors and Affiliations

  1. Ufa State Petroleum Technical University, Ufa, 450062, Russia

    A. E. Kuramshina & S. A. Bochkor

  2. Institute of Molecules and Crystals Physics, Ufa Scientific Center of the Russian Academy of Sciences, Ufa, 450075, Russia

    V. V. Kuznetsov

Authors
  1. A. E. Kuramshina
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  2. S. A. Bochkor
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  3. V. V. Kuznetsov
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Corresponding author

Correspondence to V. V. Kuznetsov.

Additional information

Translated from Khimiya Geterotsiklicheskikh Soedinenii, No.5, 686-688, May, 2009.

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Kuramshina, A.E., Bochkor, S.A. & Kuznetsov, V.V. Conformational isomerization of 4-methyl-1,3-dioxane. Chem Heterocycl Comp 45, 536–538 (2009). https://doi.org/10.1007/s10593-009-0300-0

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  • DOI: https://doi.org/10.1007/s10593-009-0300-0

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