title: Role of N-acyl amino acid ligands in Pd(II)-catalyzed remote C-H activation of tethered arenes.
abstract: A combined experimental/computational study on the amino acid ligand-assisted Pd-catalyzed C-H bond activation reveals a mechanism in which the amino acid acts as both a dianionic bidentate ligand and a proton acceptor. This new model explains the effects of amino acids on reactivity and selectivity and unveils the dual roles of amino acids: stabilizing monomeric Pd complexes and serving as the internal base for proton abstraction.
authors.affiliation: Lab of Computational Chemistry and Drug Design, Laboratory of Chemical Genomics, Peking University Shenzhen Graduate School , Shenzhen 518055, China.
authors.forename: Gui-Juan
authors.initials: GJ
authors.lastname: Cheng
authors.forename: Yun-Fang
authors.initials: YF
authors.lastname: Yang
authors.forename: Peng
authors.initials: P
authors.lastname: Liu
authors.forename: Ping
authors.initials: P
authors.lastname: Chen
authors.forename: Tian-Yu
authors.initials: TY
authors.lastname: Sun
authors.forename: Gang
authors.initials: G
authors.lastname: Li
authors.forename: Xinhao
authors.initials: X
authors.lastname: Zhang
authors.forename: K N
authors.initials: KN
authors.lastname: Houk
authors.forename: Jin-Quan
authors.initials: JQ
authors.lastname: Yu
authors.forename: Yun-Dong
authors.initials: YD
authors.lastname: Wu
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D002244:Carbon / Q000737:chemistry*; D002384:Catalysis; D006841:Hydrocarbons, Aromatic / Q000737:chemistry*; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D010165:Palladium / Q000737:chemistry*; D011522:Protons; D013237:Stereoisomerism; D013379:Substrate Specificity
chemical_list: D000596:Amino Acids; D006841:Hydrocarbons, Aromatic; D008024:Ligands; D011522:Protons; D010165:Palladium; D002244:Carbon