ANALYSIS OF THE CONFORMATIONAL COMPOSITION OF 2-ALKYL-4-PHENYL-1,3,2-OXAZABORINANES

Abstract

The empirical MM2 and semiempirical AM1 methods were used to calculate the energy of model 2‑methyl-4-phenyl-1,3,2-oxazaborinane with full optimization of the molecular geometry. Comparison of the experimental coupling constants for the 2-isobutyl analog and calculated coupling constants as well as the data for the relative energy of the individual conformers indicated that these compounds form a multicomponent equilibrium system containing sofa and a family of half-chair forms.

How to Cite
Kuznetsov, V. V.; Kalyuskii, A. R.; Gren, A. I. Chem. Heterocycl. Compd. 2001, 37, 771. [Khim. Geterotsikl. Soedin. 2001, 836.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1011933800560