CONFORMATIONAL COMPOSITION OF 2,5-DISUBSTITUTED 1,3,2-DIOXABORINANES

Authors

  • В. В. Кузнецов A. V. Bogatsky Physico-Chemical Institute, National Academy of Sciences of Ukraine, Odessa 65080
  • А. Н. Новиков A. V. Bogatsky Physico-Chemical Institute, National Academy of Sciences of Ukraine, Odessa 65080
  • И. С. Рублев A. V. Bogatsky Physico-Chemical Institute, National Academy of Sciences of Ukraine, Odessa 65080
  • П. Ю. Марколенко A. V. Bogatsky Physico-Chemical Institute, National Academy of Sciences of Ukraine, Odessa 65080

Keywords:

1,3,2-dioxaborinane, conformer, conformational equilibrium, sofa, conformational free energy

Abstract

We have used 1H NMR spectra and also MM+ and AM1 calculation methods to show that the conformational equilibrium of 2,5-disubstituted 1,3,2-dioxaborinane molecules, including two sofa forms, is shifted toward the equatorial conformer. We have established the values of ∆G0 for a number of substituents on the C(5) ring atom.

How to Cite
Kuznetsov, V. V.; Novikov, A. N.; Rublev, I. S.; Markolenko, P. Yu. Chem. Heterocycl. Compd. 2003, 39, 379. [Khim. Geterotsikl. Soedin. 2003, 426.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1023931314095

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Published

2003-03-25

Issue

No. 3 (2003)

Section

Original Papers