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Volumn 64, Issue 20, 1999, Pages 7323-7329

General syntheses of optically active α-trifluoromethylated amines via ring-opening reactions of N-benzyl-2-trifluoromethylaziridine

Author keywords

[No Author keywords available]

Indexed keywords

AMINE; AZIRIDINE DERIVATIVE;

EID: 0033214139     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo990207e     Document Type: Article
Times cited : (129)

References (33)
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    • note
    • The PM3 level molecular geometry optimization calculation done by MacSpartan Plus showed that the positive charge on the methylene carbon of N-benzyl-2-trifluoromethylaziridine is 0.15, while that of N-benzyl-2-methylaziridine is 0.04 and that of 2,3-epoxy-1,1,1-trifluoropropane is 0.09. Subtraction of the charge between the methylene carbon and nitrogen of N-benzyl-2-trifluoromethylaziridine is 0.59, while that of N-benzyl-2-methylaziridine is 0.52 and that of 2,3-epoxy-1,1,1-trifluorapropane is 0.32. The LUMO level of N-benzyl-2-trifluoromethylaziridine is -0.002 eV, while that of N-benzyl-2-methylaziridine is +0.298 eV and that of 2,3-epoxy-1,1,1-trifluoropropane is +0.699 eV.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.