NMR and DFT study on the prototropic tautomerism of 3-methyl-5-pyrazolone

Boletin de la Sociedad Chilena de Quimica

Volumn 45, Issue 1, 2000, Pages 085-089

  Alderete, Joel B ^a   Belmar, Julio ^a   Parra, Maria ^a   Zuñiga, Celia ^a  

^a UNIVERSITY OF CONCEPCIÓN   (Chile)

Author keywords

DFT and GIAO calculations; NMR; Pyrazolones; Tautomerism

Indexed keywords

EID: 23044524575     PISSN: 03661644     EISSN: None     Source Type: Journal    
DOI: 10.4067/S0366-16442000000100012     Document Type: Article

References (10)

1. R.N. Brogden. Drugs, 32, 60 (1986).
2. K.L. Kees, J.J. Fitzgerald jr., K.E. Steiner, J.F. Mattes, B. Mihan, T. Tosi, D. Mondoro, M.C. Me Caleb. J. Med. Chem., 39, 3920 (1996).
3. A. Jyothi, G.N. Rao. Talanta, 37, 431 (1990).
4. J.B. Alderete, J. Belmar. Unpublished result.
5. J. Bartulín, J. Belmar, G. León. Bol. Soc. Chil. Quím., 37, 13 (1992).
6. J. Belmar, J. Alderete, F. Leonardi, M. Parra, C. Zúñiga. Bol. soc. Chl. Quim., 42, 355 (1997).
7. K. Wolinski, J.F. Hilton, P. Pulay. J. Am. Chem. Soc., 112, 8251 (1990).
8. A.D. Becke. J. Chem. Phys., 98, 5648 (1993).
9. M. Witanowski, L. Stefaniak, G.A. Webb. In Annual Reports on NMR Spectroscopy (G.A. Webb, Ed). 25, 1 (1993).
10. Gaussian 94, Revision B.2, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, E.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L Andres, E.S. Replogle, R. Gomperts, R.L Martin, D.J. Fox, J.S. Binkley, D.J. Defres, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, and J.A. Pople, Gaussian Inc., Pittsburgh PA, 1995.