Rational electronic tuning of CBS catalyst for highly enantioselective borane reduction of trifluoroacetophenone

Chemical Communications

Volumn 46, Issue 45, 2010, Pages 8624-8626

  Korenaga, Toshinobu ^a   Nomura, Kenji ^a   Onoue, Kazutaka ^a   Sakai, Takashi ^a  

^a OKAYAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACETOPHENONE; ALCOHOL; ALPHA,ALPHA,ALPHA TRIFLUOROACETOPHENONE; BORANE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CATALYST; CHIRALITY; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ENANTIOSELECTIVITY;

EID: 78149462710     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/c0cc03706k     Document Type: Article

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26. Definition of two layers was shown in ESI (Fig. S2). Harmonic vibrational frequencies were computed for all stationary points in order to characterize them as saddle points. The energies were corrected using the zero-point energy. IRC calculations were performed to confirm the formation of product
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