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Synthesis, Physico-Chemical, Hirschfield Surface and DFT/B3LYP Calculation of Two New Hexahydropyrimidine Heterocyclic Compounds
Journal article   Peer reviewed

Synthesis, Physico-Chemical, Hirschfield Surface and DFT/B3LYP Calculation of Two New Hexahydropyrimidine Heterocyclic Compounds

Ismail Warad, Mohammed Al-Nuri, Oraib Ali, Ibrahim M. Abu-Reidah, Assem Barakat, Taibi Ben Hadda, Abdelkader Zarrouk, Smaail Radi, Rachid Touzani and Hicham Elmsellem
IRANIAN JOURNAL OF CHEMISTRY & CHEMICAL ENGINEERING-INTERNATIONAL ENGLISH EDITION, Vol.38(4), pp.59-68
01/07/2019

Abstract

Chemistry Chemistry, Multidisciplinary Engineering Engineering, Chemical Physical Sciences Science & Technology Technology
Two new hexahydropyrimidine compounds were prepared in high yield by condensation of an equimolar amount of 1,3-diamine with 2-dipyridylketone at room temperature in dichloromethane. The desired hexahydropyrimidine structures were confirmed on the basis of their UV-Visible, elemental analysis, FT-IR, H-1-NMR, TG/DTG and EI-MS data. Hirschfield and DFT/B3LYP theoretical analyses were performed and their output results were compared to experimental data.

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