A computational study of the enantioselective addition of n-BuLi to benzaldehyde in the presence of a chiral lithium N,P amideElectronic supplementary information (ESI) available: Figure of constrained bonds in initial geometry optimization. Cartesian coordinates, potential energies, free energies, solvation energies, and dispersion correction energies for the different TSs. See DOI: 10.1039/c2ob06910e

A computational study of the enantioselective addition of n-BuLi to benzaldehyde in the presence of a chiral lithium N,P amideElectronic supplementary information (ESI) available: Figure of constrained bonds in initial geometry optimization. Cartesian coordinates, potential energies, free energies, solvation energies, and dispersion correction energies for the different TSs. See DOI: 10.1039/c2ob06910e

In the presence of a chiral lithium N,P amide, alkylation of benzaldehyde results in an enantioselective formation of 1-phenyl-pentanol. This stereoselective addition reaction has herein been studied using dispersion-corrected density functional theory. For five different chiral ligands originating...

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Hauptverfasser: Rnnholm, Petra, Grfenstein, Jrgen, Norrby, Per-Ola, Hilmersson, Gran, Nilsson Lill, Sten O
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Sprache:eng
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