Zhou MJ1, Yang TL1, Dang L1.
J Org Chem. 2016 Feb 5;81(3):1006-20. doi: 10.1021/acs.joc.5b02571. Epub 2016 Jan 26.DFT calculations have been carried out to investigate the reaction mechanism for Pd(II)-mediated enantioselective C-H iodination. Iodination of the aryl ortho C-H bond of benzylamines catalyzed by Pd(II) diacetate complexes in the presence of the L-MPAA ligand experiences three main steps: first, C-H bond activation; second, oxidative addition of iodine on Pd(II) and reductive elimination of iodobenzene; third, catalyst regeneration through ligand exchange. Read More