Regioselective Access to 3-Aryl-1-aminoisoquinolines via Nickel(I)-Catalyzed C-C and C-N Cascade Coupling Reactions from the Substituted 2-(Cyanomethyl)benzonitriles.

Xicheng YangHaihua YuYulong XuLiming Shao

Published in: The Journal of organic chemistry (2018)

A novel and regioselective Ni(I) catalyzed C-C and C-N cascade coupling reactions has been developed. The cascade furnishes atom-economic access to 40 3-aryl-1-aminoisoquinolines. The regioselectivity of C(sp3)-cyano group over C(sp2)-cyano group was revealed and supported by mechanism studies as well as the preliminary density functional theory (DFT) calculations.

Keyphrases

density functional theory
room temperature
molecular dynamics
ionic liquid
molecular docking
electron transfer
metal organic framework
gold nanoparticles
case control
reduced graphene oxide
transition metal