Original paper
Mechanistic studies of Cp*Ir(iii )/Cp*Rh(iii )-catalyzed branch-selective allylic C–H amidation: why is Cp*Ir(iii ) superior to Cp*Rh(iii )?
Volume: 19, Issue: 17, Pages: 3850 - 3858
Published: Jan 1, 2021
Abstract
Density functional theory calculations have revealed the mechanism and origins of the reactivity and regioselectivity of the Cp*Ir(iii)/Cp*Rh(iii)-catalyzed allylic C-H amidation of alkenes and dioxazolones. Generally, the catalytic cycle consists of alkene coordination, C(sp3)-H activation, dioxazolone oxidative addition, reductive elimination and proto-demetallation to give the final amidation product. The C-H activation is found to be the...
Paper Details
Title
Mechanistic studies of Cp*Ir(iii )/Cp*Rh(iii )-catalyzed branch-selective allylic C–H amidation: why is Cp*Ir(iii ) superior to Cp*Rh(iii )?
Published Date
Jan 1, 2021
Volume
19
Issue
17
Pages
3850 - 3858
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History