Volume No. :   7

Issue No. :  2

Year :  2015

ISSN Print :  0975-234X

ISSN Online :  0975-4377


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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



Address:   I.E. Otuokere1*, C.O. Alisa2 and P. Nwachukwu1
1Department of Chemistry, Michael Okpara University of Agriculture, Umudike
2Department of Chemistry, Federal University of Technology, Owerri.
*Corresponding Author
DOI No: 10.5958/0975-4377.2015.00019.1

ABSTRACT:
4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one is a metabolite of aminopyrine with analgesic, anti-inflammatory, 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
Cite:
I.E. Otuokere, C.O. Alisa, P. Nwachukwu. 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. Res. J. Pharm. Dosage Form. & Tech. 7(2): April-June, 2015; Page 129-133.
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