Conformational behavior of 3-borabicyclo[3.3.1]nonanes: 1. Study of molecular dynamics in 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane |
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| Authors: | Mikhail E Gurskii Ilya D Gridnev Yuri N Bubnov Andrew Pelter Paul Rademacher |
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| Institution: | a N.D. Zelinsky Institute of Organic Chemistry, Leninsky prospect 47, 117913 Moscow B-334, Russia;b A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Vavilova Str., 117813 Moscow, Russia;c University of Wales Swansea, Singleton Park, Swansea SA2 8PP, UK;d Institute of Organic Chemistry, University of Essen, D-45117, Essen, Germany |
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| Abstract: | 3-Methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo3.3.1]nonane 5 in solution at room temperature exists in the double chair conformation, as shown by NMR studies. Increasing the temperature leads to an increase in the population of the chair–boat conformation. At decreased temperature hindered rotation around the B---O bond is observed for 5. Dissolving 5 in deuteropyridine leads to the reversible formation of complex 6, which exists in the chair–boat conformation. The chair–boat conformation is also the most stable one for chelate compound 7 with a tetracoordinated boron atom. |
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| Keywords: | 3-Borabicyclo[3 3 1]nonanes Conformation Molecular dynamics |
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