Abstract
1H and 13C NMR spectroscopy was used to assign the configuration of a mixture of stereoisomers of 2-alkyl-5-isopropyl-4-methyl-1,3,2-dioxaborinanes with different ratios of the cis and trans forms. These forms differ in the configuration of C(4) in the ring. The results of MM+ and AM1 calculations for the optimal geometry indicate high conformational flexibility of both isomers, which exist in an equilibrium mixture of sofa and half-chair conformers.
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Kuznetsov, V.V. Conformational Composition of Stereoisomers of 2-Alkyl-5-isopropyl-4-methyl-1,3,2-dioxaborinanes. Chemistry of Heterocyclic Compounds 38, 1283–1288 (2002). https://doi.org/10.1023/A:1021750017723
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DOI: https://doi.org/10.1023/A:1021750017723