Journal
ORGANIC LETTERS
Volume 13, Issue 18, Pages 4802-4805Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ol201830r
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- DST (New Delhi)
- BRNS (Mumbai)
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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.
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