Rh-Catalyzed Decarbonylation of Conjugated ynones via Carbon-Alkyne Bond Activation: Reaction Scope and Mechanistic Exploration via DFT Calculations

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Dermenci, Alpay
Whittaker, Rachel E.
Gao, Yang
Cruz, Faben A.
Yu, Zhi-Xiang
Dong, Guangbin

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In this full article, detailed development of a catalytic decarbonylation of conjugated monoynones to synthesize disubstituted alkynes is described. The reaction scope and limitation has been thoroughly investigated, and a broad range of functional groups including heterocycles were compatible under the catalytic conditions. Mechanistic exploration via DFT calculations has also been executed. Through the computational study, a proposed catalytic mechanism has been carefully evaluated. These efforts are expected to serve as an important exploratory study for developing catalytic alkyne-transfer reactions via carbon-alkyne bond activation.



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Dermenci, Alpay, Rachel E. Whittaker, Yang Gao, Faben A. Cruz, Zhi-Xiang Yu, and Guangbin Dong. "Rh-catalyzed decarbonylation of conjugated ynones via carbon–alkyne bond activation: reaction scope and mechanistic exploration via DFT calculations." Chemical Science 6, no. 5 (Mar., 2015): 3201-3210.