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Synthesis, Characterization and Molecular Mechanics Potential Energy Evaluation of 4-Amino-2, 3-Dimethyl-1-Phenyl-3-Pyrazolin-5-One Ligand and its Transition Metal Complexes


Affiliations
1 Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Nigeria
2 Department of Chemistry, Federal University of Technology, Owerri, Nigeria
     

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4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one is a metabolite of aminopyrine with analgesic, antiinflammatory, and antipyretic properties. Cd(II), Co(II), Cu(I), Ni(II), Pt(II) and Zn(II) complexes of 4-amino- 2,3-dimethyl-1-phenyl-3-pyrazolin-5-one have been synthesized. The ligand and complexes were characterized based on electronic, infrared, 1H NMR and 13C NMR spectroscopy. Spectroscopic investigation revealed that the ligand coordinated to the metal ions through the carbonyl and amino functional groups. 4-amino-2,3-dimethyl-1- phenyl-3-pyrazolin-5-one behaved as a bidentate ligand. Five membered ring chelates complexes were formed. Molecular mechanics potential energy evaluation showed that the most feasible position for 4-amino-2,3- dimethyl-1-phenyl-3-pyrazolin-5-one and its complexes to exhibit analgesic, anti-inflammatory and antipyretic activity was found to be in the range 56.75143626 - 82.65547188 kcal/mol.

Keywords

4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one, Complexes, Energy, Spectra, Ligand.
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  • Synthesis, Characterization and Molecular Mechanics Potential Energy Evaluation of 4-Amino-2, 3-Dimethyl-1-Phenyl-3-Pyrazolin-5-One Ligand and its Transition Metal Complexes

Abstract Views: 245  |  PDF Views: 0

Authors

I. E. Otuokere
Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Nigeria
C. O. Alisa
Department of Chemistry, Federal University of Technology, Owerri, Nigeria
P. Nwachukwu
Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Nigeria

Abstract


4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one is a metabolite of aminopyrine with analgesic, antiinflammatory, and antipyretic properties. Cd(II), Co(II), Cu(I), Ni(II), Pt(II) and Zn(II) complexes of 4-amino- 2,3-dimethyl-1-phenyl-3-pyrazolin-5-one have been synthesized. The ligand and complexes were characterized based on electronic, infrared, 1H NMR and 13C NMR spectroscopy. Spectroscopic investigation revealed that the ligand coordinated to the metal ions through the carbonyl and amino functional groups. 4-amino-2,3-dimethyl-1- phenyl-3-pyrazolin-5-one behaved as a bidentate ligand. Five membered ring chelates complexes were formed. Molecular mechanics potential energy evaluation showed that the most feasible position for 4-amino-2,3- dimethyl-1-phenyl-3-pyrazolin-5-one and its complexes to exhibit analgesic, anti-inflammatory and antipyretic activity was found to be in the range 56.75143626 - 82.65547188 kcal/mol.

Keywords


4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one, Complexes, Energy, Spectra, Ligand.