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Volumn 125, Issue 22, 2003, Pages 6614-6615

Quantum mechanical models correlating structure with selectivity: Predicting the enantioselectivity of β-amino alcohol catalysts in aldehyde alkylation

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDE; AMINOALCOHOL;

EID: 0038318801     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0293195     Document Type: Article
Times cited : (109)

References (22)
  • 1
    • 0003445429 scopus 로고    scopus 로고
    • Jacobsen, E. N., Pfaltz, A., Yamamoto, H., Eds.; Springer: New York
    • Comprehensive Asymmetric Catalysis; Jacobsen, E. N., Pfaltz, A., Yamamoto, H., Eds.; Springer: New York; 1999.
    • (1999) Comprehensive Asymmetric Catalysis
  • 2
    • 0037691356 scopus 로고    scopus 로고
    • Truhlar, D. G., Morokuma, K., Eds.; ACS Symposium Series 721: American Chemical Society: Washington, DC; Chapters 1, 3, 13, 14
    • (a) For reviews see: Transition State Modeling for Catalysis; Truhlar, D. G., Morokuma, K., Eds.; ACS Symposium Series 721: American Chemical Society: Washington, DC, 1999; Chapters 1, 3, 13, 14.
    • (1999) Transition State Modeling for Catalysis
  • 8
    • 0003476917 scopus 로고
    • Kubinyi, H., Folkers, G., Martin, Y. C., Eds.; Kluwer: Leiden. Particularly, Vol. 3: Martin, Y. C. Recent Progress in CoMFA Methodology and Related Techniques
    • 3D-QSAR in Drug Design: Kubinyi, H., Folkers, G., Martin, Y. C., Eds.; Kluwer: Leiden, 1993-1996; Vols. 1-3. Particularly, Vol. 3: Martin, Y. C. Recent Progress in CoMFA Methodology and Related Techniques.
    • (1993) 3D-QSAR in Drug Design , vol.1-3
  • 10
    • 0033862856 scopus 로고    scopus 로고
    • For chiral recognition in chromatography and catalysis: Lipkowitz, K. B. Acc. Chem. Res. 2000, 33, 555. (b) Lipkowitz, K. B.; D'Hue, C. A.; Sakamoto, T.; Stack, J. N. J. Am. Chem. Soc. 2002, 124, 14255.
    • (2000) Acc. Chem. Res. , vol.33 , pp. 555
    • Lipkowitz, K.B.1
  • 13
    • 0035263817 scopus 로고    scopus 로고
    • and references therein
    • Pu, L.; Yu, H.-B. Chem. Rev. 2001, 101, 757 and references therein.
    • (2001) Chem. Rev. , vol.101 , pp. 757
    • Pu, L.1    Yu, H.-B.2
  • 20
    • 0037691354 scopus 로고    scopus 로고
    • note
    • Four transition structures (anti S, anti R, syn S, and syn R) are possible for each catalyst. PM3 transition-structure energies correctly predict the sign of the enantioselection in most cases, but quantitative predictions fail in some instances (ref 10f).
  • 21
    • 0037691355 scopus 로고    scopus 로고
    • Manuscript in preparation
    • For a complete description of this methodology, see: Dixon, S. L.; Lauri, G.; Merz, K. M., Jr. Manuscript in preparation.
    • Dixon, S.L.1    Lauri, G.2    Merz K.M., Jr.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.