A Theoretical Study on Pd-catalyzed, Friedel-Crafts Intermolecular Acylation: Does Generated In Situ Aroyl Triflate Act as A Reactive Electrophile to Functionalize C–H Bond of Arenes?
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DOI: 10.3390/catal9020141
Abstract: The mechanism of Pd-catalyzed, Friedel-Crafts intermolecular acylation of arenes to ketones was comprehensively investigated by using DFT calculations. The calculated results revealed that this transformation was composed of several key steps: C–I bond oxidative addition,… read more here.
Keywords: friedel crafts; intermolecular acylation; crafts intermolecular; aroyl triflate ... See more keywords