Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 56, Issue 40, Pages 12245-12249Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201705495
Keywords
arenes; C-H activation; density-functional calculations; palladium; regioselectivity
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Funding
- National Natural Science Foundation of China (NNSFC) [20502012, 21172111, 21421001]
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Palladium-catalyzed activation of remote meta-C-H bonds in arenes containing tethered alcohols was achieved with high regioselectivity by using a nitrile template. Computational studies on the macrocyclic transition state of the regioselectivity-determining C-H activation steps revealed that both the C-N-Ag angles and gauche comformations of phenyl ether play an extremely important role in the metaselectivity.
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