Skip to Content
Merck
CN

Key Documents

View All Documentation

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

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
CF3C6H4COCH2CO2C2H5
CAS Number:
106263-53-0
Molecular Weight:
260.21
NACRES:
NA.22
PubChem Substance ID:
24879790
UNSPSC Code:
12352100
MDL number:
MFCD03424818
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

refractive index

n20/D 1.4880 (lit.)

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

Eyeshields, Gloves

Regulatory Information

新产品

This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCV3567
MKCH0798
MKCH0799
MKCB0525V
MKBW3244V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

In vitro and in vivo pharmacological characterization of SSD114, a novel GABAB positive allosteric modulator.
Porcu A, et al.
European Journal of Pharmacology, 791, 115-123 (2016)
Comparative Use of Solvent-free KF-Al2O3 and K2CO3 in Acetone in the Synthesis of Quinoxaline 1, 4-Dioxide Derivatives Designed as Antimalarial Drug Candidates.
Lima LM, et al.
Journal of Heterocyclic Chemistry, 42(7), 1381-1385 (2005)

Global Trade Item Number

SKUGTIN
559059-5G04061831821369