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Volumn 74, Issue 3, 2009, Pages 1019-1028

Synthesis and C-alkylation of hindered aldehyde enamines

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL HALIDES; C ALKYLATIONS; ELECTROPHILES; ENAMINES; LITHIUM AMIDES; N ALKYLATIONS; REACTION PATHWAYS; TERMINAL EPOXIDES;

EID: 64549085013     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo802016t     Document Type: Article
Times cited : (31)

References (94)
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    • Replacement of the experimentally used n-propyl group with a methyl group in the calculations should still provide an accurate indication of the relative energies of the various conformations, since the energy differences mainly arise from (1) strain between the vinyl protons and the gem-dimethyl groups (GS1 versus GS2) and (2) differing ring stabilities (GS2 versus GS3). Truncating the alkyl chain by two carbons reduces the number of possible conformations 9-fold and makes the computational study feasible.
    • Replacement of the experimentally used n-propyl group with a methyl group in the calculations should still provide an accurate indication of the relative energies of the various conformations, since the energy differences mainly arise from (1) strain between the vinyl protons and the gem-dimethyl groups (GS1 versus GS2) and (2) differing ring stabilities (GS2 versus GS3). Truncating the alkyl chain by two carbons reduces the number of possible conformations 9-fold and makes the computational study feasible.
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    • All calculations were carried out for the gas phase using the Gaussian 03 suite of programs: Frisch, M. J. Gaussian 03, rev. C02; Gaussian Inc.: Wallingford, CT, 2004. See Supporting Information for full reference.
    • All calculations were carried out for the gas phase using the Gaussian 03 suite of programs: Frisch, M. J. Gaussian 03, rev. C02; Gaussian Inc.: Wallingford, CT, 2004. See Supporting Information for full reference.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.