NMR and semiempirical conformational analysis of the 2-aryl-1,3-dihydroxy-4,4,5,5-tetramethylimidazolidines

Tetrahedron

Volumn 53, Issue 50, 1997, Pages 16911-16922

  Alcântara, Antônio F de C ^a   Piló Veloso, Dorila ^b   Stumpf, Humberto O ^b   De Almeida, Wagner B ^b  

^a FEDERAL UNIVERSITY OF AMAZONAS   (Brazil)

^b FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

Conformational analysis; Diamagnetic shielding; Imidazolidines; Magnetic anisotropy; Semiempirical calculations

Indexed keywords

IMIDAZOLIDINE DERIVATIVE;

ARTICLE; DRUG STRUCTURE; DRUG SYNTHESIS; IN VITRO STUDY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; QUANTUM CHEMISTRY; THEORY;

EID: 0343924331     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(97)10145-4     Document Type: Article

References (30)

1. (a) Boocock, D. G. B; Darcy, R.; Ullman, E. F.; J. Am. Chem. Soc. 1968, 90, 5945-5946.
2. (b) Kopf; P. W.; Kreilick, R.; Boocock, D. G. B.; Ullman, E. F.; J. Am. Chem. Soc. 1970, 92, 4531-4535.
3. (c) Turek, P.; Nozawa, K.; Shiomi, D.; Awaga, K.; Inabe, T.; Maruyama, Y.; Kinoshita, M.; Chem. Phys. Lett. 1991, 180, 327-331.
4. (d) Caneschi, A.; Gatteschi, D.; Rey, P.; Sessoli, R.; Inorg. Chem. 1988, 27, 1756-1761.
5. (e) Stumpf, H, O.; Ouahab, L.; Pei, Y.; Grandjean, D.; Kahn, O.;. Science, 1993, 261, 447-449.
6. (f) Stumpf, H. O.; Ouahab, L.; Pei, Y.; Bergerat, P.; Kahn, O.; J. Am. Chem. Soc. 1994, 116, 3866-3874.
7. (a) Fuchs, B.; Top.Stereochem. 1978, 10, 1-94.
8. (b) Legon, A. C.; Chem.Rev. 1980, 80, 231-262.
9. Poupko, R.; Luz, Z.; Zimmermann, H.; J.Am.Chem.Soc. 1982, 104, 5307-5314.
10. (a) Willy, W. E.; Binsch, G.; Eliel, E. L.; J. Am. Chem. Soc. 1970, 92, 5394-5402.
11. (b) Lipnick, R. L.; J. Mol. Struct. 1974, 21, 423-429.
12. Carreira, L. A.; Jiang, G. J.; Person, W. B.; Willis, J. N.; J. Chem. Phys. 1972, 56, 1440-1443.
13. Ullman, E. F.; Osiecki, J. H.; Boocock, D. G. B.; Darcy, R.; J. Am. Chem. Soc. 1972, 94, 7049-7059.
14. (a) De Almeida, W. B.; O'Malley, P. J.; J. Mol. Struct.(Theochem) 1992, 253, 349-356.
15. (b) Dos Santos, H. F.; Msc Dissertation, Universidade Federal de Minas Gerais, 1994.
16. (c) De Almeida, W. B.; Dos Santos, H. F.; O'Malley, P. J.; Structural Chemistry 1995, 6, 383-389.
17. (d) Do Val, A. M. G.; Guimarães, A. C.; De Almeida, W. B.; J. Heterocyc. Chem. 1995, 32, 557-562.
18. (e) Dos Santos, H. F.; Taylor-Gomes, J.; Booth, B. L.; De Almeida, W. B.; Vib. Spectrosc. 1995, 10, 13-28.
19. Stewart, J. J. P.; J. Comput. Chem. 1989, 10, 209-220.
20. MOPAC Version 6.0: Stewart, J. J. P.; Frank J.Seiler Research Laboratory, U.S. Air Force Academy, Colorado Springs, CO 80840-6528, USA, 1990.
21. Csonka, G. I.; J. Comp. Chem. 1993, 14, 895-898.
22. (a) Gil, V. M. S.; Geraldes, C. F. G. C.; Ressonância Magnética Nuclear - Fundamentos, Métodos e Aplicações; Fund. Calouse Gulbenkian: Lisboa, 1987, pp. 232.
23. (b) Friebolin, H.; Basic One-and Two-Dimensional NMR Spectroscopy; VCH: Weinheim, 1993; pp. 53.
24. (a) Lamchen, M.; Mittag, T. W.; J. Chem. Soc.(C) 1966, 2300-2303.
25. (b) Osiecki, J. H.; Ullman, E. F.; J. Am. Chem. Soc. 1968, 90, 1078-1079.
26. Kreilick, R. W.; Becher, J.; Ullman, E. F.; J. Am. Chem. Soc. 1969, 91, 5121-5124.
27. Wittekind, R. R.; Capiris, T.; Fahey, J.; Shavel, J.; J. Org. Chem. 1973, 38, 1641-1645.
28. (a) Boocock, D. G. B.; Ullman, E. F.; J. Am. Chem. Soc. 1968, 90, 6873-6874.
29. (b) Kopf, P. W.; Kreilick, R. W.; J. Am. Chem. Soc. 1969, 97, 6569-6573.
30. Ullman, E. F.; Call, L.; Osiecki, J. H.; J. Org. Chem. 1970, 35, 3623-3631.