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Volumn 130, Issue 40, 2008, Pages 13219-13221

Regioselective de novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism

Author keywords

[No Author keywords available]

Indexed keywords

CYANOHYDROXYPYRIDINE DERIVATIVE; PYRIDINOL; UNCLASSIFIED DRUG;

EID: 53549125292     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja804078v     Document Type: Article
Times cited : (40)

References (33)
  • 1
    • 18744382742 scopus 로고    scopus 로고
    • Recent examples: (a) Dediu, O. G.; Yehia, N. A. M.; Oeser, T.; Polborn, K.; Müller, T. J. J. Eur. J. Org. Chem. 2005, 1834.
    • Recent examples: (a) Dediu, O. G.; Yehia, N. A. M.; Oeser, T.; Polborn, K.; Müller, T. J. J. Eur. J. Org. Chem. 2005, 1834.
  • 7
    • 84944053662 scopus 로고    scopus 로고
    • Mc Killop, A. Ed, Pergamon: Oxford, U.K
    • (a) Jones, G. In Comprehensive Heterocyclic Chemistry II; Mc Killop, A. Ed.; Pergamon: Oxford, U.K., 1996, Vol. 5, pp 167.
    • (1996) Comprehensive Heterocyclic Chemistry II , vol.5 , pp. 167
    • Jones, G.1
  • 8
    • 33746470627 scopus 로고    scopus 로고
    • Thieme: Stuttgart, Germany
    • (b)Spitzner, D. In Science of Synthesis; Thieme: Stuttgart, Germany, 2004; p 11.
    • (2004) Science of Synthesis , pp. 11
    • Spitzner, D.1
  • 31
    • 0029878720 scopus 로고    scopus 로고
    • Calculations utilized unrestricted and restricted DFT (B3LYP hybrid functional. Jaguar, version 7.0; Schrödinger LLC: New York, 2007, Initial geometry and vibrational frequencies were computed with mixed 6-31G**/midi! basis sets to confirm intermediates. Geometries were then optimized with the full 6-31G** basis set. Single point energies on these geometries were calculated with the 6-311G**+ basis set. DMF solvent was treated implicitly by Jaguar's Poisson-Boltzmann continuum solver (ε, 36.7 and r, 2.49 Å) with the 6-311G** basis set. Colored graphics were created with VMD, see: Humphrey, W, Dalke, A, Schulten, K. J. Mol. Graphics 1996, 14, 33
    • Calculations utilized unrestricted and restricted DFT (B3LYP hybrid functional. Jaguar, version 7.0; Schrödinger LLC: New York, 2007). Initial geometry and vibrational frequencies were computed with mixed 6-31G**/midi! basis sets to confirm intermediates. Geometries were then optimized with the full 6-31G** basis set. Single point energies on these geometries were calculated with the 6-311G**+ basis set. DMF solvent was treated implicitly by Jaguar's Poisson-Boltzmann continuum solver (ε = 36.7 and r = 2.49 Å) with the 6-311G** basis set. Colored graphics were created with VMD, see: Humphrey, W.; Dalke, A.; Schulten, K. J. Mol. Graphics 1996, 14, 33.
  • 32
    • 0002549529 scopus 로고
    • For a discussion and historical perspective on cycloaddition mechanisms see
    • For a discussion and historical perspective on cycloaddition mechanisms see: Houk, K. N.; Gonzáles, J.; Li, Y. Acc. Chem. Res. 1995, 28, 81.
    • (1995) Acc. Chem. Res , vol.28 , pp. 81
    • Houk, K.N.1    Gonzáles, J.2    Li, Y.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.