钯（II）催化的γ-C-H 芳基化的计算探索，其中立体选择性源于吸引人的芳基-芳基相互作用。
Computational Exploration of a Pd(II)-Catalyzed γ-C-H Arylation Where Stereoselectivity Arises from Attractive Aryl-Aryl Interactions.
机构信息
Department of Chemistry and Biochemistry , University of California , Los Angeles , California 90095 , United States.
College of Chemical Engineering , Zhejiang University of Technology , Hangzhou , Zhejiang 310014 , P. R. China.
出版信息
J Org Chem. 2018 Dec 7;83(23):14786-14790. doi: 10.1021/acs.joc.8b02416. Epub 2018 Nov 15.
The enantioselective Pd(II)-catalyzed γ-C-H arylation of picolinamides with a chiral BINOL phosphate ligand was explored using density functional theory (DFT). Enantioselectivity arises from attractive aryl-aryl interactions between the pseudoequatorial phenyl substituent of the substrate and the chiral BINOL phosphate ligand.
采用密度泛函理论（DFT）研究了手性 BINOL 磷酸配体的对映选择性 Pd(II)-催化吡啶甲酰胺的 γ-C-H 芳基化反应。对映选择性来源于底物的假轴向苯基取代基与手性 BINOL 磷酸配体之间的芳基-芳基吸引力。
Zotero 插件