Document Type
Article
Publication Date
4-19-2019
Abstract
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.
Recommended Citation
Quillen, Andrew, Quynh Nguyen, Matthew Neiser, Kara Lindsay, Alexander Rosen, Stephen Ramirez, Stefana Costan et al. "Palladium-Catalyzed direct α-C (sp3) heteroarylation of ketones under microwave irradiation." The Journal of Organic Chemistry 84, no. 12 (2019): 7652-7663. https://doi.org/10.1021/acs.joc.9b00446
Publication Title
The Journal of Organic Chemistry
DOI
10.1021/acs.joc.9b00446
Comments
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