Acylation of a Novel Quinoxalinyl Substituted Pyrazole Derivative. Synthesis, Quantum Chemistry Calculations, and X-ray Structure Analysis

Journal of Heterocyclic Chemistry

Volumn 35, Issue 1, 1998, Pages 113-115

  Matuszczak, Barbara ^a   Langer, Thierry ^a   Mereiter, Kurt ^b  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0344181985     PISSN: 0022152X     EISSN: None     Source Type: Journal    
DOI: 10.1002/jhet.5570350121     Document Type: Article

References (13)

1. G. Heinisch, B. Matuszczak and K. Mereiter, Heterocycles, 38, 2081 (1994).
2. B. Matuszczak and K. Mereiter, Heterocycles, in press.
3. The assignment of the ratios of the isomers was performed by proton nmr spectroscopy after work up.
4. The isomers were formed in the ratio 0.4:1 [3] with the thermodynamically less stable isomer predominating.
5. N,N-acyl migration reactions in pyrazole chemistry have been described in reference [11].
6. Sybyl 6.2, Tripos Ass., St. Louis, MO 63144, USA, 1995.
7. MM3 1992, Tripos Ass., St. Louis, MO 63144, USA.
8. MOPAC 6.0, QCPE #455, QCPE, Bloomington, IN 47405, USA.
9. [9a] G. M. Sheldrick, SADABS. Program for empirical absorption correction, University of Göttingen, 1996.
10. [b] SHELXTL, Version 5. Integrated system of computer programs for crystal structure determination, Siemens X-ray Analytical, 1994.
11. [c] G. M. Sheldrick, SHELXL93. Program for crystal structure refinement. University of Göttingen, 1993.
12. Further details of the crystal structure investigation are available from the Fachinformationszentrum Karlsruhe, D-76344 Eggenstein-Leopoldshafen (Germany), on quoting the depository number CSD-407519.
13. J. Elguero in: Comprehensive Heterocyclic Chemistry II, Vol 5, Part 4A, K. T. Potts, ed., Pergamon Press, Oxford 1996, pp 167-303, and literature cited therein.