Structural and spectroscopic characterisation of 2-(2′- hydroxybenzoyl) pyrrole and its O-methyl derivative

Journal of Molecular Structure: THEOCHEM

Volumn 709, Issue 1-3 SPEC. ISS., 2004, Pages 183-186

  Ciofalo, Maurizio ^a   La Manna, Gianfranco ^b  

^a UNIVERSITY OF PALERMO   (Italy)

^b Universita   (Italy)

Author keywords

2 (2 Methoxybenzoyl)pyrrole; 2 (2 Hydroxybenzoyl)pyrrole; DFT calculations

Indexed keywords

2 (2' HYDROXYBENZOYL)PYRROLE; METHYL GROUP; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANALYTIC METHOD; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFERENCE PAPER; CONFORMATION; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; INFRARED SPECTROSCOPY; ULTRAVIOLET SPECTROSCOPY;

EID: 11144324547     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.10.077     Document Type: Conference Paper

References (20)

1. R. Takeda J. Am. Chem. Soc. 80 1958 4749
2. N. Ezaki, M. Koyama, T. Shomura, T. Tsuruoka, and S. Inouye J. Antibiot. 36 1983 1263
3. N. Ezaki, M. Koyama, Y. Kodama, T. Shomura, K. Tashiro, T. Tsuruoka, S. Inouye, and S. Sakai J. Antibiot. 36 1983 1431
4. S. Mahboobi, H. Pongratz, H. Hufsky, J. Hockemeyer, M. Frieser, A. Lyssenko, D.H. Paper, J. Buergermeister, F.-D. Boehmer, H.-H. Fiebig, A.M. Burger, S. Baasner, and T. Beckers J. Med. Chem. 44 2001 4535
5. T. Beckers, T. Reissmann, M. Schmidt, A.M. Burger, H.H. Fiebig, U. Vanhoefer, H. Pongratz, H. Hufsky, J. Hockemeyer, M. Frieser, and S. Mahboobi Cancer Res. 62 2002 3113
6. B. Rennenberg, M. Kellner, H. Laatsch, Liebigs Ann. Chem. (1993) 847.
7. H. Laatsch, B. Rennenberg, U. Hanefeld, M. Kellner, H. Pudleiner, G. Hamprecht, H.-P. Kraemer, and H. Anke Chem. Pharm. Bull. 43 1995 537
8. S. Petruso, S. Bonanno, S. Caronna, M. Ciofalo, B. Maggio, and D. Schillaci J. Heterocycl. Chem. 31 1994 941
9. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98 (Revision A.6), Gaussian, Inc., Pittsburgh PA, 1998.
10. A.D. Becke J. Chem. Phys. 98 1993 5648
11. G. Chang, W.C. Guida, and W.C. Still J. Am. Chem. Soc. 111 1989 4379
12. M. Ciofalo, in preparation.
13. M.W. Wong Chem. Phys. Lett. 256 1996 391
14. R. Bauernschmitt, and R. Ahlrichs Chem. Phys. Lett. 256 1996 454
15. R. Ponec, and M. Strnad Int. J. Quantum Chem. 50 1994 43
16. G. La Manna, G. Di Gregorio, and R. Ponec J. Mol. Struct. (Theochem) 499 2000 233
17. R. Ponec, personal communication, 2002.
18. R.A. Jones, and G.P. Bean The Chemistry of Pyrroles 1977 Academic Press London pp. 284-285
19. M. Ciofalo, unpublished data.
20. K.B. Andersen, M. Langgård, and J. Spanget-Larsen J. Mol. Struct. (Theochem) 509 1999 153