The Reaction Mechanism of the Enantioselective Tsuji Allylation: Inner-Sphere and Outer-Sphere Pathways, Internal Rearrangements, and Asymmetric C–C Bond Formation.

We use first principles quantum mechanics (density functional theory) to report a detailed reaction mechanism of the asymmetric Tsuji allylation involving prochiral nucleophiles and nonprochiral allyl fragments, which is consistent with experimental findings. The observed enantioselectivity is best...

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Publicado en:	Journal of the American Chemical Society Vol. 134; no. 46; pp. 19050 - 19061
Autores principales:	Keith, John A., Behenna, Douglas C., Sherden, Nathaniel, Mohr, Justin T., Ma, Sandy, Marinescu, Smaranda C., Nielsen, Robert J., Oxgaard, Jonas, Stoltz, Brian M., Goddard III, William A.
Formato:	Artículo
Publicado:	American Chemical Society 11/21/2012
Materias:	Reaction mechanisms (Chemistry) Enantioselective catalysis Allylation Density functionals Rearrangements (Chemistry) Carbon-carbon bonds synthesis Asymmetric synthesis
Acceso en línea:	Ver este registro en EBSCOhost