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Cu-catalyzed Synthesis of Quinolines by Dehydrogenative Reaction of 2-Aminobenzyl Alcohol and Ketones: A Combined Experimental and Computational Study.

Minh Tuan HaNina Thi NguyenNgoc Huyen TranQuoc Viet HoNguyen Thi SonVan Ha NguyenHien NguyenDang Van DoTran Quang HungBinh Khanh MaiTuan Thanh Dang
Published in: Chemistry, an Asian journal (2022)
Quinoline derivatives are important moieties in bioactive molecules and advanced materials. However, an efficient strategy to synthesize quinoline derivatives remains challenging. Herein, we describe an efficient and practical method for the synthesis of quinolines by Cu-catalyzed cyclization of 2-amino benzyl alcohol with ketones (or secondary alcohols) via an acceptorless dehydrogenation pathway. Interestingly, a range of highly functionalized quinolines is prepared in good yields using low catalyst loading under relatively mild conditions. Furthermore, density functional theory (DFT) calculations are carried out to investigate mechanistic insights for the acceptorless dehydrogenation pathway.
Keyphrases
  • density functional theory
  • room temperature
  • molecular dynamics
  • molecular docking
  • metal organic framework
  • alcohol consumption
  • ionic liquid
  • aqueous solution
  • structure activity relationship
  • quantum dots