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Ethyl 4,4,4-trifluoroacetoacetate

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Products Intro: Product Name:Ethyl-4,4,4-trifluoroacetoacetate
CAS:372-31-6
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Products Intro: Product Name:Ethyl 4,4,4-trifluoroacetoacetate
CAS:372-31-6
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Products Intro: Product Name:Ethyl 4,4,4-trifluoroacetoacetate
CAS:372-31-6
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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
Ethyl 4,4,4-trifluoroacetoacetate Structure
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.)
Fp 84 °F
storage temp. Sealed in dry,Room Temperature
solubility 10g/l
form Liquid
pka7.76±0.10(Predicted)
color Clear colorless to slightly yellow
Specific Gravity1.259 (20/4℃)
PH6.2 (10g/l, H2O, 20℃)
Water Solubility 10 g/L (20 ºC)
BRN 608353
InChIKeyOCJKUQIPRNZDTK-UHFFFAOYSA-N
CAS DataBase Reference372-31-6(CAS DataBase Reference)
NIST Chemistry ReferenceButanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester(372-31-6)
EPA Substance Registry SystemEthyl 4,4,4-trifluoroacetoacetate (372-31-6)
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 Information
ProviderLanguage
Ethyl 3-oxo-4,4,4-trifluoroacetoacetate English
ACROS English
SigmaAldrich English
ALFA English
Ethyl 4,4,4-trifluoroacetoacetate Usage And Synthesis
Chemical PropertiesClear liquid
UsesIntermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet
UsesWidely used in the synthetic process of medicine, pesticides and organic intermediate.
UsesEthyl 4,4,4-trifluoroacetoacetate is used in the synthesis of fluorinated 2-thiouracil analogs as antithyroid agents.
Flammability and ExplosibilityFlammable
SynthesisWith 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 materialsTrifluoroacetic acid-->Ethyl trifluoroacetate-->Ethyl acetate
Preparation Products4-BROMO-6-(TRIFLUOROMETHYL)PYRIMIDINE-->5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE-->(5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)METHANAMINE-->4-(Trifluoromethyl)-2-(methylthio)pyrimidine-5-carboxylic acid ,97%-->5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXAMIDE-->4-TRIFLUOROMETHYL-QUINOLINE-2-CARBOXYLIC ACID-->6-Fluoro-4-(trifluoromethyl)quinolin-2-amine ,97%-->ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate-->4-(Trifluoromethyl)quinoline-2-carbohydrazide ,97%-->(5-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-4-YL)METHANOL-->4-(Trifluoromethyl)quinolin-2-amine-->5-(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)METHANOL-->7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN-->4-HYDROXY-2-(METHYLTHIO)-6-(TRIFLUOROMETHYL)PYRIMIDINE-->4-BROMO-6-FLUORO-2-(TRIFLUOROMETHYL)QUINOLINE-->1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID-->ETHYL 2-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE-->4-Methylpyrimidine-->ETHYL 1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE-->4-bromo-2-(trifluoromethyl)quinoline-->Ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate ,97%-->4-HYDROXY-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE-->2,6-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-->ETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE-->1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-OL-->2-BROMO-4-(TRIFLUOROMETHYL)QUINOLINE-->2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline-->4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE
Tag:Ethyl 4,4,4-trifluoroacetoacetate(372-31-6) Related Product Information
Ethyl acetoacetate Ethyl 2-chloroacetoacetate Ethylparaben Methyl acetoacetate Ethyl formate Ethyl bromodifluoroacetate Ethanol Acetoxyacetic acid Ethyl cellulose Ethyl trifluoroacetate Ethyl 4-chloroacetoacetate Ethyl 4-bromoacetoacetate CHLOROETHANE Ethylbenzene Ethyl acetate Ethyl acrylate Ethyl 2-methylacetoacetate tert-Butyl acetoacetate Ethyl Trifluoroacetoacetate
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