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Volumn 129, Issue 42, 2007, Pages 12664-12665

Origin of regioselectivity in palladium-catalyzed cross-coupling reactions of polyhalogenated heterocycles

Author keywords

[No Author keywords available]

Indexed keywords

FURAN DERIVATIVE; HALOGEN; HETEROCYCLIC COMPOUND; PALLADIUM;

EID: 35548938629     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja075785o     Document Type: Article
Times cited : (252)

References (27)
  • 6
    • 35549006739 scopus 로고    scopus 로고
    • B3LYP + 12.0, R(2) = 0.951). Calculations done using Gaussian 03: Frisch, M. J.; et al. Gaussian 03; Gaussian, Inc.: Pittsburgh, PA, 2004.
    • B3LYP + 12.0, R(2) = 0.951). Calculations done using Gaussian 03: Frisch, M. J.; et al. Gaussian 03; Gaussian, Inc.: Pittsburgh, PA, 2004.
  • 12
    • 35548977098 scopus 로고    scopus 로고
    • 2 gave similar results.
    • 2 gave similar results.
  • 13
    • 33746102110 scopus 로고    scopus 로고
    • The TSs of Pd insertion into the halo positions of the heterocycles were computed at B3LYP with 6-31G(d) and LANL2DZ+ECP (for Pd) basis sets. B3LYP was found to be an adequate method to study these reactions, see: de Jong, G. T.; Bickelhaupt, F. M. J. Chem. Theory Comput. 2006, 2, 322.
    • The TSs of Pd insertion into the halo positions of the heterocycles were computed at B3LYP with 6-31G(d) and LANL2DZ+ECP (for Pd) basis sets. B3LYP was found to be an adequate method to study these reactions, see: de Jong, G. T.; Bickelhaupt, F. M. J. Chem. Theory Comput. 2006, 2, 322.
  • 14
    • 33645356177 scopus 로고    scopus 로고
    • Example of computed transition structures of oxidative addition to 4,6-dichloro-2-pyrone, see: Fairlamb, I. J. S.; O'Brien, C. T.; Lin, Z.; Lamb, K. C. Org. Biomol. Chem. 2006, 4, 1213.
    • Example of computed transition structures of oxidative addition to 4,6-dichloro-2-pyrone, see: Fairlamb, I. J. S.; O'Brien, C. T.; Lin, Z.; Lamb, K. C. Org. Biomol. Chem. 2006, 4, 1213.
  • 27
    • 35548956866 scopus 로고    scopus 로고
    • See Supporting Information for more details
    • See Supporting Information for more details.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.