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Ligand Effects on the Stereochemical Outcome of Suzuki–Miyaura Couplings

✍ Scribed by Lu, Guo-Ping; Voigtritter, Karl R.; Cai, Chun; Lipshutz, Bruce H.

Book ID
111657536
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
460 KB
Volume
77
Category
Article
ISSN
0022-3263

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DFT calculations have been used to explore the full catalytic cycle of the Suzuki-Miyaura coupling between PhBr and PhB(OH) 3 -with four different palladium monophosphine catalysts derived from Pd(PMe 3 ) 2 , Pd(P(CF 3 ) 3 ) 2 , Pd(PPh 3 ) 2 and Pd(P t Bu 3 ) 2 . All the steps of the reaction have