542628
1,1,1-Trifluoro-2-butanone
95%
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About This Item
Linear Formula:
CF3COC2H5
CAS Number:
Molecular Weight:
126.08
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
1,1,1-Trifluoro-2-butanone, 95%
InChI
1S/C4H5F3O/c1-2-3(8)4(5,6)7/h2H2,1H3
SMILES string
CCC(=O)C(F)(F)F
InChI key
QBVHMPFSDVNFAY-UHFFFAOYSA-N
assay
95%
refractive index
n20/D 1.322 (lit.)
bp
50-51 °C (lit.)
density
0.929 g/mL at 25 °C (lit.)
functional group
fluoro
ketone
Quality Level
Related Categories
Application
1,1,1-Trifluoro-2-butanone may be used in the synthesis of 5α,6β-dibromo-25-hydroxycholestan-3β-yl acetate. It may also be used for the in situ generation of ethyl(trifluoromethyl)dioxirane (ETDO).
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A facile synthesis of C-24 and C-25 oxysterols by in situ generated ethyl(trifluoromethyl)dioxirane.
Shoujiro Ogawa et al.
Steroids, 74(1), 81-87 (2008-11-11)
Experiments were performed to compare the regioselective hydroxylation of the isopropyl C-H bond at C-25 in 5alpha-cholestan-3beta-yl acetate by in situ generated dimethyldioxirane, methyl(trifluoromethyl)dioxirane, hexafluoro(dimethyl)dioxirane or ethyl(trifluoromethyl)dioxirane (ETDO). The dioxiranes were generated from the corresponding ketones and potassium peroxymonosulfate in
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