Document Type: Research Article
Department of Chemistry, Khuzestan Science and Research Branch, Islamic Azad University, Ahvaz, I.R. IRAN
Petroleum University of Technology of Ahwaz, Ahwaz, I.R. IRAN
Department of Chemistry, Ahvaz Branch, Islamic Azad University, Ahvaz, I.R. IRAN
Department of Chemistry , College of Sciences , Shahid Chamran University , Ahvaz , I.R. IRAN
We report here an efficient and green method for fused Biginelli condensation reaction of aldehydes, cyclopentanone, and urea by using nano ZrO2-SO3H as catalyst under solvent-free conditions. The prospect of the reusability of this catalyst has also been demonstrated without compromising on the yield of the product. On the whole, the protocol presented here is an excellent alternative to many of the reported procedures by the use of nano ZrO2-SO3H as recyclable catalyst. So, Optimized molecular structures have been investigated by DFT/B3LYP method with 6-31G (d,p) basis set. Stability of some 4-aryl-7-benzylidene-1,3,4,5,6,7-hexahydro-4-phenyl-2H-cyclopenta[d]pyrimidin-2-one (2 a-j) derivatives and intramolecular interactions bond has been analyzed by using natural bond orbital (NBO) analysis.