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Ethyl 4,4,4-trifluoroacetoacetate

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Ethyl 4,4,4-trifluoroacetoacetate Basic information

Product Name:
Ethyl 4,4,4-trifluoroacetoacetate
Synonyms:
  • Ethyl4,4,-Trifluoroacetoacetate
  • Ethyltrifluoroacetoacetate,98+%
  • ETHYL 4,4,4-TRIFLUOROACETYLACETATE
  • ETFAA
  • 1-Ethoxy-4,4,4-trifluorobutane-1,3-dione
  • Ethyl 3-oxo-4,4,4-trifluorobutanoate
  • Ethyl 4,4,4-trifluoro-3-oxobutyrate
  • (Trifluoroacetyl)acetic acid ethyl ester
CAS:
372-31-6
MF:
C6H7F3O3
MW:
184.11
EINECS:
206-750-7
Product Categories:
  • Fluorinated Building Blocks
  • Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds
  • Synthetic Organic Chemistry
  • Aliphatics
  • Esters
  • Organic Fluorides
  • Fluorochemicals
  • Pharmaceutical Intermediates
  • top
  • bc0001
  • 372-31-6
Mol File:
372-31-6.mol
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Ethyl 4,4,4-trifluoroacetoacetate Chemical Properties

Melting point:
-39 °C
Boiling point:
129-130 °C(lit.)
Density 
1.259 g/mL at 25 °C(lit.)
vapor pressure 
8hPa at 20℃
refractive index 
n20/D 1.375(lit.)
Flash point:
84 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
10g/l
form 
Liquid
pka
7.76±0.10(Predicted)
color 
Clear colorless to slightly yellow
Specific Gravity
1.259 (20/4℃)
PH
6.2 (10g/l, H2O, 20℃)
Water Solubility 
10 g/L (20 ºC)
BRN 
608353
InChIKey
OCJKUQIPRNZDTK-UHFFFAOYSA-N
CAS DataBase Reference
372-31-6(CAS DataBase Reference)
NIST Chemistry Reference
Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester(372-31-6)
EPA Substance Registry System
Ethyl 4,4,4-trifluoroacetoacetate (372-31-6)
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Safety Information

Hazard Codes 
Xn,F,C,Xi
Risk Statements 
10-22-52/53
Safety Statements 
61-16
RIDADR 
UN 3272 3/PG 3
WGK Germany 
2
Hazard Note 
Flammable/Corrosive
TSCA 
T
HazardClass 
3
PackingGroup 
III
HS Code 
29183000

MSDS

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Ethyl 4,4,4-trifluoroacetoacetate Usage And Synthesis

Chemical Properties

Clear liquid

Uses

Intermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet

Uses

Ethyl 4,4,4-trifluoroacetoacetate is used in the synthesis of fluorinated 2-thiouracil analogs as antithyroid agents.

Uses

Widely used in the synthetic process of medicine, pesticides and organic intermediate.

Flammability and Explosibility

Flammable

Synthesis

With an ethanol solution of sodium ethoxide as a catalyst and in the presence of an organic solvent, ethyl trifluoroacetate and ethyl acetate are subjected to a Claisen condensation reaction, and ethyl 4,4,4-trifluoroacetoacetate is synthesized.

References

[1] Journal of Fluorine Chemistry, 1982, vol. 20, p. 187
[2] Patent: CN103214355, 2016, B. Location in patent: Paragraph 0076
[3] Bulletin des Societes Chimiques Belges, 1926, vol. 35, p. 414
[4] Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1926, vol. <5> 12, p. 680,692
[5] Chem. Zentralbl., 1927, vol. 98, # I, p. 996,1286

Ethyl 4,4,4-trifluoroacetoacetate Preparation Products And Raw materials

Raw materials

Trifluoroacetic acid

Preparation Products

4-BROMO-6-(TRIFLUOROMETHYL)PYRIMIDINE5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE(5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)METHANAMINE4-(Trifluoromethyl)-2-(methylthio)pyrimidine-5-carboxylic acid ,97%5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXAMIDE4-TRIFLUOROMETHYL-QUINOLINE-2-CARBOXYLIC ACID6-Fluoro-4-(trifluoromethyl)quinolin-2-amine ,97%ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate4-(Trifluoromethyl)quinoline-2-carbohydrazide ,97%(5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)METHANOL4-(Trifluoromethyl)quinolin-2-amine5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE(4-(Trifluoromethyl)quinolin-2-yl)methanol ,97%(6-Fluoro-4-(trifluoromethyl)quinolin-2-yl)methanol ,97%1-PHENYL-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBONYL CHLORIDE(1-TERT-BUTYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)METHANOL(5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANAMINE(5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN4-HYDROXY-2-(METHYLTHIO)-6-(TRIFLUOROMETHYL)PYRIMIDINE4-BROMO-6-FLUORO-2-(TRIFLUOROMETHYL)QUINOLINE1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACIDETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE4-MethylpyrimidineETHYL 1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE4-bromo-2-(trifluoromethyl)quinolineEthyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate ,97%4-HYDROXY-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE2,6-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINEETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-OL2-BROMO-4-(TRIFLUOROMETHYL)QUINOLINE2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINEEthyl 3-amino-4,4,4-trifluorocrotonate

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