Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/xmlui/handle/100/14263
Title: Palladium(II)-Catalyzed Direct Alkoxylation of Arenes: Evidence for Solvent-Assisted Concerted Metalation Deprotonation
Authors: ANAND, M
SUNOJ, RB
Keywords: C-H Bond
Reductive Elimination
Direct Arylation
Activation
Mechanism
Sp(2)
Functionalization
Oxidant
Oxygen
Water
Issue Date: 2011
Publisher: AMER CHEMICAL SOC
Citation: ORGANIC LETTERS,13(18)4802-4805
Abstract: Density functional theory investigations on the mechanism of palladium acetate catalyzed direct alkoxylation of N-methoxybenzamide in methanol reveal that the key steps involve solvent-assisted N-H as well as C-H bond activations. The transition state for the critical palladium-carbon bond formation through a concerted metalation deprotonation (CMD) process leading to a palladacycle intermediate has been found to be more stable in the methanol-assisted pathway as compared to an unassisted route.
URI: http://dx.doi.org/10.1021/ol201830r
http://dspace.library.iitb.ac.in/jspui/handle/100/14263
ISSN: 1523-7060
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