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Volumn 59, Issue 5, 2003, Pages 677-683

Experimental and theoretical investigations for the regio and stereoselective transformation of trans 1,2,3-trisubstituted aziridines into trans oxazolidin-2-ones

Author keywords

Ab initio calculations; Aziridines; Molecular mechanism; Oxazolidinones; Regioselectivity; Stereoselectivity

Indexed keywords

AZIRIDINE DERIVATIVE; OXAZOLIDINONE DERIVATIVE;

EID: 0037467708     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(02)01565-X     Document Type: Article
Times cited : (28)

References (22)
  • 9
    • 0012640318 scopus 로고    scopus 로고
    • The activation barrier for the ring-closure step for the cis 5-membered bicyclic aziridine via TS2-BC (see Fig. 4) is ca. 4 kcal/mol less energetic than that for the acyclic intermediate IN2-2c. In addition, the restricted C2-C3 bond-rotation at the corresponding bicyclic intermediate favours the antiperiplanar arrangement of both carboxymethyl and chloride substituents
    • The activation barrier for the ring-closure step for the cis 5-membered bicyclic aziridine via TS2-BC (see Fig. 4) is ca. 4 kcal/mol less energetic than that for the acyclic intermediate IN2-2c. In addition, the restricted C2-C3 bond-rotation at the corresponding bicyclic intermediate favours the antiperiplanar arrangement of both carboxymethyl and chloride substituents.
  • 16
    • 0003354199 scopus 로고
    • Geometry Optimization on Potential Energy Surface
    • D.R. Yarkony. Singapore: World Scientific
    • (b) Schlegel H.B. Geometry Optimization on Potential Energy Surface. Yarkony D.R. Modern Electronic Structure Theory. 1994;World Scientific, Singapore.
    • (1994) Modern Electronic Structure Theory
    • Schlegel, H.B.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.