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- Title
Studies on the C/O-regioselectivity in Electrophilic Fluoromethylations of β-Ketoesters based on Thermodynamics by Ab initio Calculations.
- Authors
Yu-Dong Yang; Xin Wang; Seiji Tsuzuki; Etsuko Tokunaga; Norio Shibata
- Abstract
The article discusses a study on the C/O-regioselectivity in electrophilic fluoromethylations of ß-ketoesters based on thermodynamics with the help of Ab initio calculations. Topics covered include the electronic character of trifluoromethyl sulfoxinium salt 1a, the geometries of anion 3 complexed with fluoromethyl radicals and plausible schematic reaction mechanisms for trifluoromethylation and monofluoromethylation.
- Subjects
REGIOSELECTIVITY (Chemistry); ELECTROPHILES; THERMODYNAMICS; AB initio quantum chemistry methods; FLUOROMETHANE
- Publication
Bulletin of the Korean Chemical Society, 2014, Vol 35, Issue 6, p1851
- ISSN
0253-2964
- Publication type
Article
- DOI
10.5012/bkcs.2014.35.6.1851