Ethyl 4,4,4-trifluoro-3-oxobutanoate

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Names and Identifiers

Name	ethyl 4,4,4-trifluoroacetoacetate
Synonyms	ETFAA ethyl trifluoroacetoacetate Ethyl4,4,-Trifluoroacetoacetate Ethyl-4,4,4-trifluoroacetoacetate ethyl 4,4,4-trifluoroacetoacetate ETHYL 4,4,4-TRIFLUOROACETYLACETATE Ethyl 4,4,4-trifluoro-3-oxobutyrate Ethyl 4,4,4-trifluoro-3-oxobutanoate Ethyl 3-oxo-4,4,4-trifluorobutanoate Trifluoro acetoacetic acid ethyl ester Ethyl 3-oxo-4,4,4-trifluoroacetoacetate (Trifluoroacetyl)acetic acid ethyl ester 1-Ethoxy-4,4,4-trifluorobutane-1,3-dione 4,4,4-Trifluoroacetoacetic acid ethyl ester
CAS	372-31-6
EINECS	206-750-7
InChI	InChI=1/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey	OCJKUQIPRNZDTK-UHFFFAOYSA-N

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Physico-chemical Properties

Molecular Formula	C6H7F3O3
Molar Mass	184.11
Density	1.259g/mLat 25°C(lit.)
Melting Point	-39 °C
Boling Point	129-130°C(lit.)
Flash Point	84°F
Water Solubility	10 g/L (20 ºC)
Solubility	10g/l
Vapor Presure	8hPa at 20℃
Appearance	Liquid
Specific Gravity	1.259 (20/4℃)
Color	Clear colorless to slightly yellow
BRN	608353
pKa	7.76±0.10(Predicted)
PH	6.2 (10g/l, H2O, 20℃)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	n20/D 1.375(lit.)
Physical and Chemical Properties	density 1.259 melting point -39°C boiling point 131°C (709 mmHg) refractive index 1.375-1.378 flash point 28°C water-soluble 10g/L (20°C)
Use	Used as pesticide, pharmaceutical intermediates

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Risk and Safety

Risk Codes	R10 - Flammable R22 - Harmful if swallowed R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Description	S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S16 - Keep away from sources of ignition.
UN IDs	UN 3272 3/PG 3
WGK Germany	2
TSCA	T
HS Code	29183000
Hazard Note	Flammable/Corrosive
Hazard Class	3
Packing Group	III

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Reference Information

NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
preparation	(1) 70ml of mixed aqueous solution Ⅰ prepared by Mg(NO3)2 · 6H2O48.08g(0.1875mol) and Al(NO3)3 · 9H2O23.45g(0.0625mol) in a four-mouth bottle, mix 70ml of mixed aqueous solution Ⅱ prepared with 20g(0.5mol) of sodium hydroxide and 3.31g(0.03125mol) of sodium carbonate to obtain a mixed solution, adjust the pH value of the mixed solution to 8.5, stir for 30min, age at 65 ℃ for 18h, filter to obtain filter cake, wash the filter cake to neutral, dry at 80 ℃ for 12h, and grind to obtain catalyst precursor;(2) The catalyst precursor obtained in step (1) is put into a muffle furnace and calcined at 450°C for 3 hours, and naturally cooled to room temperature under nitrogen protection. The calcined solid is added to 100 ml0.1mol/LKF aqueous solution, stirred at room temperature for 48h, filtered, washed with water and dried in vacuum, calcined at 450 ℃ for 8h, and then naturally cooled to room temperature under nitrogen protection to prepare catalyst;(3) 40g of ethyl acetate, 20g of ethyl trifluoroacetate and 0.02g of catalyst obtained in step (2) are added into four flasks respectively, reacting at 40 ℃ for 6h, distilling removes unreacted ethyl acetate and the generated ethanol to obtain condensation product, cooling, adding 10g of mixed solution of formic acid and ethyl acetate (mass ratio of formic acid to ethyl acetate is 1:1) to the obtained condensation product, reacting at 40 ℃ for 1h, cooling, filtering, distilling the filtrate under reduced pressure to obtain ethyl trifluoroacetoacetate, GC/MS analysis, the purity is 99.9%, the yield was 87.9%.
use	for pesticide intermediates. As a fine intermediate, it is widely used in the synthesis of fluorine-containing pesticides, pharmaceuticals, and organic intermediates As a fine intermediate, it is widely used in the synthesis of fluorine-containing pesticides, pharmaceuticals, and organic intermediates. An important intermediate for the synthesis of fluorine-containing heterocyclic medicines and pesticides, organic synthetic blocks.

Last Update：2024-04-10 22:29:15

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Ethyl 4,4,4-trifluoro-3-oxobutanoate

ethyl 4,4,4-trifluoroacetoacetate

CAS: 372-31-6

Molecular Formula: C6H7F3O3

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Names and Identifiers

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Physico-chemical Properties

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Risk and Safety

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Reference Information

Supplier List

Ethyl 4,4,4-trifluoro-3-oxobutanoate Request for Quotation

ethyl 4,4,4-trifluoroacetoacetate

CAS: 372-31-6

Molecular Formula: C6H7F3O3

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Names and Identifiers

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Physico-chemical Properties

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Risk and Safety

Ethyl 4,4,4-trifluoro-3-oxobutanoate - Reference Information

Supplier List

Ethyl 4,4,4-trifluoro-3-oxobutanoate