Year-end Sale % OFF 
Abstract
The reaction mechanisms of the palladium-catalyzed oxidative cascade reaction of phenylacetylene and allenes with different assisting groups have been theoretically investigated with the aid of density functional theory calculations (DFT) calculations. Both reactions A (Pd(OAc)2-catalyzed cascade reactions of phenylacetylene with the allene bearing hydroxyl group) and B (Pd(OAc)2-catalyzed cascade reactions of phenylacetylene with the allene bearing p-toluenesulfonamide) involve sp3 CH activation processes, but the specific reaction mechanism is different due to allenes bearing different α-nucleophilic functionality in the substrate. On the basis of these mechanistic foundations, the influence of electronic effect and steric effect on chemoselectivity was illustrated. The present study provided more universal and deeper mechanistic insights into Pd-catalyzed oxidative cascade reaction of phenylacetylene and allenes with different α-nucleophilic functionality (e.g., OH, NHR).
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
