Mechanism and origins of the directing group-controlled endo- versus exo-selectivity of iridium-catalysed intramolecular hydroalkenylation of 1,1-disubstituted alkenes

• Published in: Chemical communications (Cambridge, England) Vol. 54; no. 21; pp. 2678 - 2681
• Main Authors: Lang, Yanmin, Zhang, Mei, Cao, Yang, Huang, Genping
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 2018
• Subjects: Alkenes; Density functional theory; Iridium; Mathematical analysis; Reaction mechanisms; Selectivity

Density functional theory calculations were performed to investigate the iridium-catalysed intramolecular hydroalkenylation of 1,1-disubstituted alkenes. The detailed reaction mechanism is established, and the important role of directing groups in determining the experimentally observed endo- versus...