DFT study of the regioselectivity of addition of sulfenvlchloride to ethenes

Heteroatom Chemistry

Volumn 18, Issue 7, 2007, Pages 695-703

  Vektariene, Ausra ^a   Vektaris, Gytis ^a   Rankin, David W H ^b  

^a VILNIUS UNIVERSITY   (Lithuania)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; ETHANE; NUMERICAL METHODS; OPTIMIZATION; PARAMETER ESTIMATION;

ELECTROPHILIC ADDITION REACTIONS; EPISULFOSNIUM IONS; ETHENES; QUANTUM CHEMICAL OPTIMIZATIONS; SULFENVLCHLORIDES;

REGIOSELECTIVITY;

EID: 36448947266     PISSN: 10427163     EISSN: 10981071     Source Type: Journal    
DOI: 10.1002/hc.20378     Document Type: Article

References (28)

1. (a) Pratt, W. B.; Ruddon, R. W.; Ensminger, W. D.; Maybaum, J. Anticancer Drugs, 2nd ed. Oxford University Press, 1994, New York;
2. (b) Zhang, H.; Breido, L. Bioor. Med Chem Lett 2001, 11, 1511;
3. (c) Klaveness, J.; Rongved, P. US patent application 20020102217, 2002.
4. (a) Pool-Zobel, B. L.; Leucht, U. Mutat Res 1997, 375(2), 105;
5. (b) Papirmeister, Br.; Gross, C.L.; Meier, H.L.; Petrali, J.P; Johnson, J.B. Fundam Appl Toxicol 1985, 5, 134.
6. (a) Smoliakova, I. Curr Org Chem 2000, 4(6), 589;
7. (b) Vektariene, A. (a review) Pharm Chem J 1998, 32(12), 629;
8. (c) Abu-Yousef, I. A.; Hynes, R. C.; Harp, D. N. Tetrahedron Lett 1993, 34, 4289;
9. (d) Jones, D. K.; Liotta, D. C. Tetrahedron Lett 1993, 34, 7209;
10. (e) Baldwin, I; Briner, P. Org Lett 2002, 4, 4381;
11. (f) Fox, D.; House, D. Angew Chem 2002, 114, 2572;
12. (g) Johnston, B; Pinto, M. J Org Chem 2000, 65, 4607;
13. (h) Mueller, W. H.; Butler, P. E. J Org Chem 1968, 33, 2642.
14. Warren, A. T. J Org Chem 1969, 34, 871.
15. (a) Mueller, W. H.; Butler, P. E. J Am Chem Soc 1968, 90, 2075;
16. (b) Liu, Ch.; Hashimoto, Y. Bull Chem Soc, Japan 1996, 69, 2095;
17. (c) Bach, R. D.; Henneike, D. R. J Am Chem Soc 1970, 92, 5589.
18. (a) Johnson, C. R.; Rigau, J. J. J Am Chem Soc 1969, 91, 5398;
19. (b) Trost, B. M. J Am Chem Soc 1973, 95, 5288
20. Mueller, W. H. Angew Chem, Int Ed 1969, 8, 482.
21. Dudley, T.; Smoliakova, L; Hoffmann, M. J Org Chem 1999, 64, 1247.
22. Mueller, W. H.; Butler, P. E. J Am Chem Soc 1968, 90, 2075.
23. Walsh, A. D. Nature 1947, 159, 165, 712.
24. Klopman, G. J Am Chem Soc 1968, 90, 223.
25. (a) Modena, G.; Pasquato, L.; Lucchini, V. Chem Eur J 2000, 6(4) 589;
26. (b) Lucchini, V.; Modena, G.; Pasquato, L. J Am Chem Soc 1995, 117, 2297.
27. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J Comput Chem 1993, 14, 1347.
28. Flukiger, P.; Luthi, H. P.; Portmann, S.; Weber, J. MOLEKEL 4.3; Swiss Centre for Scientific Computing; Manno Switzerland, 2000.