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Only a few computational studies have been done to rationalize the regiochemistry in the (3 + 2) cycloaddition step shown in Scheme 1, see: (a) Pham, T. Q.; Pyne, S. G.; Skelton, B. W.; White, A. H. Tetrahedron Lett. 2002, 43, 5953.
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Only a few computational studies have been done to rationalize the regiochemistry in the (3 + 2) cycloaddition step shown in Scheme 1, see: (a) Pham, T. Q.; Pyne, S. G.; Skelton, B. W.; White, A. H. Tetrahedron Lett. 2002, 43, 5953.
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sol values are somehow overestimated (owing to the overestimation of the entropy contributions in solution), the main purpose of such calculations is to appreciate how solvent influences a reaction (such as on its reaction rate, regio- and stereochemistry). A discussion of regiochemistry is given in the Supporting Information.
-
sol values are somehow overestimated (owing to the overestimation of the entropy contributions in solution), the main purpose of such calculations is to appreciate how solvent influences a reaction (such as on its reaction rate, regio- and stereochemistry). A discussion of regiochemistry is given in the Supporting Information.
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-
-
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24
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33947661167
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Calculations showed that tunneling effect for this step is negligible.9
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9
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25
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33947623403
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3. For details of these and other experiments, see the Supporting Information.
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3. For details of these and other experiments, see the Supporting Information.
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26
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1842450590
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[1,2] or [1,3] proton shift is proposed in many phosphine catalyzed reactions: (a) Jung, C.-K.; Wang, J.-C.; Krische, M. J. J. Am. Chem. Soc. 2004, 126, 4118.
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[1,2] or [1,3] proton shift is proposed in many phosphine catalyzed reactions: (a) Jung, C.-K.; Wang, J.-C.; Krische, M. J. J. Am. Chem. Soc. 2004, 126, 4118.
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Such water-assisted proton shifts have been found in many enzymatic reactions, for a recent review, see:, and references therein
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Such water-assisted proton shifts have been found in many enzymatic reactions, for a recent review, see: Blomberg, M. R. A.; Siegbahn, P. E. M. Biochim. Biophys. Acta 2006, 1757, 969 and references therein.
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