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We assume a reversible pre-equilibrium for the initial complexation between Pd(0)L complex and the double bond of the substrate. (b) Although the enantiodiscriminating step of an AAA is expected to be also the rate-determining one, such a correspondence is not always met in enantioselective transformations. See, for example
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(a) We assume a reversible pre-equilibrium for the initial complexation between Pd(0)L complex and the double bond of the substrate. (b) Although the enantiodiscriminating step of an AAA is expected to be also the rate-determining one, such a correspondence is not always met in enantioselective transformations. See, for example: Kramer, R.; Brückner, R. Chem. Eur. J. 2007, 13, 9076.
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4, and the solvent was removed in vacuo. The crude product was purified by flash chromatography.
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The er has been preferred to ee as enantioselectivity descriptor. See
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The absolute configuration of 2 was determined by conversion of an enantioenriched sample of it (er 86:14) into N-benzoyl-3-ethylpyrrolidine and comparison of its optical rotation with that reported for the enantiopure R-configurated sample described by Pedrosa et al.
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The absolute configuration of 2 was determined by conversion of an enantioenriched sample of it (er 86:14) into N-benzoyl-3-ethylpyrrolidine and comparison of its optical rotation with that reported for the enantiopure R-configurated sample described by Pedrosa et al.: Andres, C.; Duque-Soladana, J. P.; Pedrosa, R. J. Org. Chem. 1999, 64, 4273.
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67649323726
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67649356014
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The instability of this ligand under the basic biphasic conditions might account for this result.
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LACVP* uses the 6-31G* basis set for all light elements, and the Hay-Wadt ECP and basis set for Pd
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Jaguar, version 7.5, release 207, Schrödinger, LLC, New York, NY, 2008.
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