Login / Signup

Regioselective Synthesis of Tetrasubstituted Benzenes via Co-Catalyzed Cycloaddition of Alkynyl Ketones and 2-Acetylpyridines.

Liqiang YinMurong XuYe WangHuihui XieYang YuanChengyu WangYuan-Ye JiangYanzhong Li
Published in: The Journal of organic chemistry (2021)
A Co(II)-catalyzed cycloaddition reaction of alkynyl ketones and 2-acetylpyridines using 2,2'-bipyridine as the ligand has been developed. These reactions have been realized through Co-catalyzed reductive coupling of two molecules of 2-acetylpyridine followed by regioselective insertion of the alkynone. It is the first example of regioselective cyclotrimerization of one molecule of alkyne and two molecules of monoketone to polysubstituted benzene derivatives in good to excellent yields. A mechanism involving the formation of a cobaltacyclopentane via homocoupling of 2-acetylpyridines is proposed, and it is supported by the DFT calculations.
Keyphrases
  • room temperature
  • density functional theory
  • ionic liquid
  • molecular dynamics
  • molecular dynamics simulations
  • crystal structure
  • structure activity relationship