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Rh-Catalyzed (5+2) Cycloadditions of 3-Acyloxy-1,4-enynes and Alkynes: Computational Study of Mechanism, Reactivity, and Regioselectivity.

The mechanism of Rh-catalyzed (5+2) cycloadditions of 3-acyloxy-1,4-enyne (ACE) and alkynes is investigated using density functional theory calculations. The catalytic cycle involves 1,2-acyloxy migration, alkyne insertion, and reductive elimination to form the cycloheptatriene product. In contrast...

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Publicado en:Journal of the American Chemical Society Vol. 135; no. 25; pp. 9271 - 9275
Autores principales: Xiufang Xu, Peng Liu, Xing-zhong Shu, Weiping Tang, Houk, K. N.
Formato: Artículo
Publicado: American Chemical Society 6/26/2013
Materias:
Rhodium catalysts
Ring formation (Chemistry)
Alkynes
Enynes
Reactivity (Chemistry)
Regioselectivity (Chemistry)
Density functional theory
Carbon-carbon bonds
Acceso en línea:Ver este registro en EBSCOhost