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 ΔG 0 for a number of substituents on the C(5) ring atom.
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Kuznetsov, V.V., Novikov, A.N., Rublev, I.S. et al. Conformational Composition of 2,5-Disubstituted 1,3,2-Dioxaborinanes. Chemistry of Heterocyclic Compounds 39, 379–385 (2003). https://doi.org/10.1023/A:1023931314095
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DOI: https://doi.org/10.1023/A:1023931314095