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Volumn 66, Issue 7, 2010, Pages 1465-1471

Facile structural elucidation of imidazoles and oxazoles based on NMR spectroscopy and quantum mechanical calculations

Author keywords

Bredereck reaction; Density functional theory calculations; Imidazoles; Oxazoles

Indexed keywords

2,2 DIHYDROXY 3 OXO 4 PHENYLBUTANAMIDE; 3 HYDROXY 2 OXO 4 PHENYLBUT 3 ENAMIDE; 4 (3 BROMOPHENYL) 2,2 DIHYDROXY 3 OXOBUTANAMIDE; 4 (BIPHENYL 3 YL) 2,2 DIHYDROXY 3 OXOBUTANAMIDE; 4 BENZYL 1H IMIDAZOLE 5 CARBOXAMIDE; 5 AMINO 2 (3 BROMOPHENYL) 4 HYDROXYFURAN 3(2H) ONE; 5 AMINO 2 (BIPHENYL 3 YL) 4 HYDROXYFURAN 3(2H) ONE; 5 AMINO 4 HYDROXY 2 PHENYLFURAN 3(2H) ONE; IMIDAZOLE DERIVATIVE; METHYL 4 (3 IODOPHENYL)OXAZOLE 5 CARBOXYLATE; OXAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 74049096632     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2009.12.019     Document Type: Article
Times cited : (17)

References (36)
  • 13
    • 74049094914 scopus 로고    scopus 로고
    • note
    • There exists at least one additional conformer for each carboxamido-substituted imidazole tautomer, A and B, which is obtained by a 180° rotation around the imidazole-carboxamide bond. In these structures no internal H-bonding is possible, while there is some steric congestion, and indeed these structures are ca. 6-10 kcal/mol less stable than the most stable structure at the highest computed level.
  • 36
    • 74049109858 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Vreven T. Jr, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S.;Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keith
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Vreven T. Jr.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.;Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.01 Gaussian: Pittsburgh, PA, 2003.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.