Theoretical insights into the mechanism and ligand-controlled chemoselectivity of multicomponent carbonylation toward γ-butenolide and ynone
Abstract
DFT calculations were employed to explore the detailed reaction mechanism, the role of CuI and the origins of the regio-, and chemoselectivities in ligand-controlled multicomponent carbonylation reactions.
Fields of Study & Subjects
Catalytic Cross-Coupling Reactions
Catalytic Alkyne Reactions
Catalytic C–H Functionalization Methods
Publication details
- Journal / source
- Organic Chemistry Frontiers
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 13
- Issue
- 15
- Pages
- 4566–4587
- Publication date
- 1 January 2026
- Language
- EN