Activation of the C-H Bond by Electrophilic Attack: Theoretical Study of the Reaction Mechanism of the Aerobic Oxidation of Alcohols to Aldehydes by the Cu(bipy)(2+)/2,2,6,6-Tetramethylpiperidinyl-1-oxy Cocatalyst System

Michel, C.
Belanzoni, P.
Gamez, P.
Reedijk, J.
Baerends, E.J.

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Publication date

January 2009

DOI

10.1021/ic902155m

Publisher

American Chemical Society (ACS)

ISSN

0020-1669

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Abstract

We have investigated the reaction mechanism of the selective aerobic oxidation of primary alcohols into aldehydes using a bipy-copper complex and the 2,2,6,6-tetramethylpiperidinyl-1-oxy (TEMPO) radical as cocatalysts (Gamez et al. Chem. Commun. 2003, 2412-2415) and compared it to the well-known oxidation by the TEMP

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Activation of the C-H Bond by Electrophilic Attack: Theoretical Study of the Reaction Mechanism of the Aerobic Oxidation of Alcohols to Aldehydes by the Cu(bipy)(2+)/2,2,6,6-Tetramethylpiperidinyl-1-oxy Cocatalyst System

Abstract

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Activation of the C-H Bond by Electrophilic Attack: Theoretical Study of the Reaction Mechanism of the Aerobic Oxidation of Alcohols to Aldehydes by the Cu(bipy)(2+)/2,2,6,6-Tetramethylpiperidinyl-1-oxy Cocatalyst System

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