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  • Chem Sci Trans., 2014, 3(2),  pp 805-811  

    DOI:10.7598/cst2014.276

    Research Article

    Synthesis of New C,C-Linked Bipyrazole and Comparative Theoretical Calculations

  • IBRAHIM BOUABDALLAH, ISMAIL ZIDANE, RACHID TOUZANI, FOUAD MALEK, ABDELKRIM RAMDANI,
    ABRAHAM F. JALBOUT and B. TRZASKOWSKI
  • Laboratoire de Chimie Organique, Macromoléculaire et Produit Naturels, Faculté des Sciences, Université Mohammed Ier, BP 524, 60 000 Oujda, Maroc
    Centre Régionale des Métiers d’Education et de Formation, Région d’orientale, Maroc
    Faculté Pluridisciplinaire, Université Mohammed Ier, B.P. 300, 62700 Selouane, Nador, Maroc
    NASA Astrobiology Centers, Department of Chemistry, University of Arizona, Tucson, AZ 85721, USA
  • Abstract

    New C,C-linked bipyrazole 1,1’-di(4-aminophenyl)-5,5’-diisopropyl-3,3’-bipyrazole (2) has been synthesized and characterized. Theoretical calculations have been carried out on target 2 and literature 1 C,C-linked bipyrazoles to compare with reported results. All calculations were carried out with the AM1 level of theory using the GAUSSIAN 03. The nature of substituent attached to the pyrazolic nitrogen has an effect on the thermodynamic variable values. The mono and bis N-substituted C,C-linked bipyrazoles have different thermodynamic properties.

    Keywords

    C,C-Linked, Bipyrazole, Theoretical calculation, Mono and bis N-substituted

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