ChemInform Abstract: Rational Electronic Tuning of CBS Catalyst for Highly Enantioselective Borane Reduction of Trifluoroacetophenone

Autor:	Toshinobu Korenaga, Kenji Nomura, Takashi Sakai, Kazutaka Onoue
Rok vydání:	2011
Předmět:	Reduction (complexity) chemistry.chemical_compound Electronic tuning chemistry Enantioselective synthesis Alcohol General Medicine Borane CBS catalyst Combinatorial chemistry Catalysis Adduct
Zdroj:	ChemInform. 42
ISSN:	0931-7597
DOI:	10.1002/chin.201112027
Popis:	α,α,α-Trifluoroacetophenone (2), which is susceptible to noncatalytic reduction by BH3, could be reduced to chiral alcohol up to 90% ee by using electronically tuned-CBS catalyst (1) with BH3. The enantioselectivities highly correlated with the differential orbital energies between 1–BH3 adduct and 2, which were calculated by DFT method.
Databáze:	OpenAIRE
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