title: A Preliminary Study of Diastereoselectivity in the PdII-Catalyzed C(sp3)-H Alkoxylation of Cyclic Systems.
abstract: Primary mechanism of a PdII-catalyzed 8-aminoquinoline-directed C-H alkoxylation was investigated. It was understood that the PdII-catalyzed C(sp3)-O bond formation proceeded through a concerted reductive elimination from the PdIVintermediate in the cyclic system. Deuteration experiments and related computational studies elucidate that intrinsic conformation determined the diastereoselectivity of the PdII-catalyzed C-H alkoxylation of cyclic carboxylic acids.
authors.affiliation: MOE Key Laboratory of Protein Sciences, Department of Pharmacology and Pharmaceutical Sciences, School of Medicine, Tsinghua University, Beijing, 100084, China.
authors.forename: Xinglin
authors.initials: X
authors.lastname: Yang
authors.affiliation: Lab of Computational Chemistry and Drug Design, Key Laboratory of Chemical Genomics, Peking University Shenzhen Graduate School, Shenzhen, 518055, China.
authors.forename: Tian-Yu
authors.initials: TY
authors.lastname: Sun
authors.affiliation: MOE Key Laboratory of Protein Sciences, Department of Pharmacology and Pharmaceutical Sciences, School of Medicine, Tsinghua University, Beijing, 100084, China. yrao@mail.tsinghua.edu.cn.
authors.forename: Yu
authors.initials: Y
authors.lastname: Rao
keywords: alkoxylation; cyclic system; density functional calculations; deuterium; diastereoselectivity