Synthesis and DFT Study of Newly Schiff Base and Fused Heterocyclic Compounds as Antibacterial Agent


  • Sameh Rizk University of Ain Shams, Cairo
  • Ismail M. Awheda University of Mergeb, Tripoli
  • Fathi A. Smida University of   El-Mergeb, El-Khoms Lybia



Oxirane, Pyrazole, Isooxazole, Schiff Base, Imidazole, Triazine


Treatment of 2,3-di-(4-chlorophenyl) oxirane-2,3-dicarbonitriles(1) with nitrogen nucleophiles, e.g. N2H4, NH2OH afforded pyrazole 2, 1.2oxazole 3 derivatives respectively The 3-amino pyrazole-4-one derivatives 2 can be used as a key starting materials to synthesize some important Schiff base 4 and fused heterocyclic compounds e.g. Imidazolo-[4,5-c]pyrazole 5, Pyrazolo[3,4-e]1,2,4-triazine 6, pyrazol[1,2-a] 1,3,5-triazine 7, 8 and 9. The electromeric effect of the halogen atom in the aryl moieties can be controlled upon the rate of reaction and the yield of the product. The structures of synthesized new compounds were characterized by spectral data and screened for their antimicrobial activities against various bacteria and fungi strains. The heterocyclic compounds 7, 8 and 9 that contained bridgehead nitrogen gave an excellent result. 


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Author Biographies

Sameh Rizk, University of Ain Shams, Cairo

Department of Chemistry, Faculty of Science, University of Ain Shams, Cairo, Egypt.

Ismail M. Awheda, University of Mergeb, Tripoli

Department of Chemistry, Faculty of Art and Science, University of Mergeb, Tripoli, Lybia

Fathi A. Smida, University of   El-Mergeb, El-Khoms Lybia

Department of Chemistry, Faculty of Art and Science, University of   El-Mergeb, El-Khoms Lybia


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