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Mechanistic studies on the palladium-catalyzed cross-dehydrogenative coupling of 4-phenoxy-2-coumarins: experimental and computational insights

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Abstract

Delineating the mechanistic features of C–H activation in aryl-heteroaryl coupling is an important step in the design of selective, catalytic processes. Herein we use the intramolecular dehydrogenative coupling of 4-phenoxy-2-coumarins as a model study. Computational results and experimental studies suggest that CMD is operative in the cleavage of both C–H bonds, and that the heteroaryl C–H is cleaved initially.

Graphical abstract: Mechanistic studies on the palladium-catalyzed cross-dehydrogenative coupling of 4-phenoxy-2-coumarins: experimental and computational insights

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Publication details

The article was received on 05 Mar 2018, accepted on 06 Apr 2018 and first published on 16 Apr 2018


Article type: Paper
DOI: 10.1039/C8DT00842F
Citation: Dalton Trans., 2018, Advance Article
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    Mechanistic studies on the palladium-catalyzed cross-dehydrogenative coupling of 4-phenoxy-2-coumarins: experimental and computational insights

    A. M. Prendergast, Z. Zhang, Z. Lin and G. P. McGlacken, Dalton Trans., 2018, Advance Article , DOI: 10.1039/C8DT00842F

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