Palladium-Catalyzed Direct α‑C(sp3) Heteroarylation of Ketones under Microwave Irradiation
Heteroaryl compounds are valuable building blocks in medicinal chemistry and chemical industry. A palladium-catalyzed direct α-C(sp3) heteroarylation of ketones under microwave irradiation is developed and reported in this study. Under optimized conditions, twenty-eight (28) heteroarylated ketones were prepared in this study to demonstrate the substrate scope of this reaction. The ground-state optimized structure of Pd(0) active catalyst with 2-dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl (XPhos) in toluene, and the products of its reaction with 3-bromopyridine and acetophenone were studied using all-atom density functional theory. This study provided insightful information for palladium catalytic system design to generate heteroaryl compounds.
Quillen, Andrew, et al. "Palladium-Catalyzed direct α-C (sp3) heteroarylation of ketones under microwave irradiation." The Journal of Organic Chemistry 84.12 (2019): 7652-7663. https://doi.org/10.1021/acs.joc.9b00446
J. Org. Chem.
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