Mechanistic differences between aryl iodide electrophiles and pronucleophiles in Pd-catalyzed coupling with cyclopropenes: a DFT study

Abstract

Computational studies were carried out to investigate the mechanisms of Pd-catalyzed ring-opening reactions of cyclopropenes with pronucleophiles (H-Nu) and aryl iodide electrophiles, respectively. The mechanistic path for the reaction of...

Pd(ii)/LA-catalyzed acetanilide olefination with dioxygen

“…Here, the internal base of the Pd( ii ) salt apparently affected the olefination rate, and a strong internal base offered a relatively faster olefination rate, indicating that it was a base-assisted β-hydride elimination process. 50–52 However, in the 1 H NMR kinetics study of the olefination reaction, no reactive intermediate was observed prior to the olefination product formation (Fig. S21†), even when Pd(TFA) 2 was employed as the Pd( ii ) source, implying that the whole olefination reaction was still a fast process in the C–H activation and functionalization reaction.…”