559059
Ethyl (4-trifluoromethylbenzoyl)acetate
Synonym(s):
3-Oxo-3-(4-trifluoromethylphenyl)propanoic acid ethyl ester, Ethyl 2-4-(Trifluoromethyl)benzoylacetate, Ethyl 3-(4-trifluoromethylphenyl)-3-oxopropionate, Ethyl 3-oxo-3-4-(trifluoromethyl)phenylpropanoate
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About This Item
Linear Formula:
CF3C6H4COCH2CO2C2H5
CAS Number:
Molecular Weight:
260.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
refractive index
n
bp
248-249 °C (lit.)
density
1.270 g/mL at 25 °C (lit.)
SMILES string
CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
InChI
1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3
InChI key
HVHVSJPSNQIPEM-UHFFFAOYSA-N
Application
Ethyl (4-trifluoromethylbenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-trifluoromethyl)phenylquinoxaline 1,4-dioxide and N-cyclohexyl-4-methoxy-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine.
Reactant for:
- In-catalyzed cycloisomerization
- Chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water
- Guanidine-catalyzed enantioselective Michael reactions
- Transesterification reactions
- Intermolecular coupling reactions
Storage Class
10 - Combustible liquids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
PPE (personal protective equipment)
Eyeshields, Gloves
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