Synthesis of novel N -functionalized 4-aryl-tetrahydrobiquinoline-2,5-(1 H,3 H)-diones via one-pot three-component reaction: A joint experimental and computational study

Main Authors: M Heravi; Majid, Zadsirjan, V., Mahdizadeh, S.J., Heydari, M.
Format: Article Journal
Terbitan: , 2018
Subjects:
DFT
Online Access: https://zenodo.org/record/4051978
Daftar Isi:
  • A novel series of N-functionalized 4-aryl-tetrahydrobiquinoline-2,5-(1H,3H)-diones were synthesized in high yields by a one-pot three-component reaction involving 2-chloroquinoline-3-carbaldehydes, Meldrum's acid, and enaminones (dimedone-based enaminones) in the presence of K2CO3 in CH3CN under reflux condition. To gain a deep insight on the mechanism of the reaction, an extensive series of quantum mechanics calculations in the framework of density functional theory (DFT) were carried out for supporting the suggested reaction pathway.