Conformational Composition of Stereoisomers of 2,4,5-Trisubstituted 1,3,2-Dioxaborinanes |
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| Authors: | V. V. Kuznetsov E. A. Alekseeva V. V. Khudyakov Yu. A. Levshov |
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| Affiliation: | (1) Bogatskii Physicochemical Institute, National Academy of Sciences of Ukraine, Odessa, Ukraine Ufa State Petroleum Technical University, Ufa, Bashkortostan, Russia |
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| Abstract: | 1H NMR spectroscopy and MM+ and AM1 calculations were used for configurational assessment of stereoisomers of 4-methyl-2,5-disubstituted 1,3,2-dioxaborinanes (differing in the configuration of the ring C4 atom). The molecules are conformationally inhomogeneous; this is due to the internal rotation of the substituent at the C5 atom, while in the cis isomers, in addition, by the equilibrium between the S-4e5a and S-4a5esofa conformations, shifted to the latter form. |
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