Description

Ethyl 4,4,4-Trifluoroacetoacetate (CAS No. 372-31-6) is a high-purity fluorinated ester widely utilized in organic synthesis and pharmaceutical research. With the molecular formula C₆H₇F₃O₃, this compound serves as a versatile building block for the preparation of trifluoromethyl-containing heterocycles, agrochemicals, and bioactive molecules. Its unique trifluoromethyl group enhances lipophilicity and metabolic stability, making it invaluable in medicinal chemistry. Available in ≥98% purity (GC), our product is rigorously tested to ensure consistency for demanding applications. Suitable for use under inert conditions, it is supplied in sealed containers to maintain stability. Ideal for researchers requiring reliable fluorinated intermediates.

Properties

• CAS Number: 372-31-6
• Complexity: 185
• IUPAC Name: ethyl 4,4,4-trifluoro-3-oxo-butanoate
• InChI: InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
• InChI Key: OCJKUQIPRNZDTK-UHFFFAOYSA-N
• Exact Mass: 184.03472857
• Molecular Formula: C6H7F3O3
• Molecular Weight: 184.11
• SMILES: CCOC(=O)CC(=O)C(F)(F)F
• Topological: 43.4
• Monoisotopic Mass: 184.03472857
• Physical Description: Liquid
• Vapor Pressure: 6.0 [mmHg]
• Synonyms: Ethyl 4,4,4-trifluoroacetoacetate, Ethyl 4,4,4-trifluoro-3-oxobutanoate, Ethyl trifluoroacetoacetate, 4,4,4-trifluoro-3-oxobutanoic acid ethyl ester, ethyl-4,4,4-trifluoroacetoacetate, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, 4,4,4-Trifluoroacetoacetic acid ethyl ester, ETHYL 4,4,4-TRIFLUORO-3-OXOBUTYRATE, AI3-52657, EINECS 206-750-7, DTXSID5059905, EC 206-750-7, Acetoacetic acid, 4-trifluoro-, ethyl ester, Ethyl omega,omega,omega-trifluoroacetoacetate, Ethyl .gamma.,.gamma.,.gamma.-trifluoroacetoacetate, Ethyl .omega.,.omega.,.omega.-trifluoroacetoacetate, DTXCID8039299, Ethyl 4,4,4trifluoro3oxobutanoate, Ethyl gamma,gamma,gamma-trifluoroacetoacetate, Acetoacetic acid, 4,4,4trifluoro, ethyl ester, Butanoic acid, 4,4,4trifluoro3oxo, ethyl ester, 206-750-7, ocjkuqiprnzdtk-uhfffaoysa-n, un3272, 372-31-6, Ethyl (trifluoroacetyl)acetate, ETFAA, NSC 42739, 4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, Ethyl 3-oxo-4,4,4-trifluorobutyrate, ethyl 3-oxo-4,4,4-trifluoroacetoacetate, CHEMBL152164, NSC-42739, MFCD00000424, ethyl 4,4-trifluoroacetoacetate, trifluoroacetoacetic acid ethyl ester, ethyl 4,4,4-trifluoro-3-oxo-butanoate, CF3COCH2CO2Et, ethyl triflouroacetoacetate, ethyl trifluoro-acetoacetate, KM9XB46R5T, SCHEMBL77331, ethyl-4,4,4-trifluoracetoacetate, BCP27409, CS-B0893, NSC42739, ethyl 4,4,4,-trifluoroacetoacetate, BDBM50121956, SBB008825, STK400144, trifluoroacetylacetic acid ethyl ester, AKOS000119777, ethyl-4,4,4-trifluoro-3-oxobutanoate, ethyl 3-keto-4,4,4-trifluorobutanoate, Ethyl 4,4,4-trifluoroacetoacetate, 99%, DB-049085, NS00002564, ST50308268, T0810, 4,4,4-trifluoro-acetoacetic acid ethyl ester, Acetoacetic acid,4,4-trifluoro-, ethyl ester, EN300-19611, D77220, 4,4,4-trifluoro-3-oxo-butanoic acid ethyl ester, Butanoic acid,4,4-trifluoro-3-oxo-, ethyl ester, Q17321524, F0001-1070, Ethyl 4,4,4-trifluoroacetoacetate, Lonza quality, >=98.0% (GC)

Ethyl 4,4,4-trifluoroacetoacetate is a key intermediate in synthesizing trifluoromethylated compounds, including pharmaceuticals and agrochemicals. It is used in Knoevenagel condensations and Michael additions to introduce CF₃ groups. The ester also serves as a precursor for heterocycle formation, such as pyrazoles and pyrimidines. Its stability under mild conditions makes it suitable for lab-scale and industrial processes.

Safety and Hazards

GHS Hazard Statements

• H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (96.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (70.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H412 (98.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (99.5%)
• Acute Tox. 4 (96.4%)
• Skin Irrit. 2 (70.3%)
• Aquatic Chronic 3 (98.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.