ethyl 4,4,4-trifluoro-3-oxobutanoate, CAS No. 372-31-6

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372-31-6

Catalog No. EBD2204334

CAS 372-31-6

Name ethyl 4,4,4-trifluoro-3-oxobutanoate

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Basic Information

Synonyms: Ethyl-4,4,4-trifluoroacetoacetate Ethyl3-oxo-4,4,4-trifluoroacetoacetate 4,4,4-Trifluoroacetoaceticacidethylester Trifluoroacetoaceticacidethylester ethyltrifluoroacetoacetate ETFAA

Molecular Formula: C6H7F3O3

Molecular Weight: 184.11

MDL Number: MFCD00000424

Categories: Synthetic Chemistry > Organic Building Blocks > Halogenated Compounds Synthetic Chemistry > Organic Building Blocks > Carboxylic Acids and Esters Synthetic Chemistry > Organic Building Blocks > Aldehydes and Ketones

Product Description:

Ethyl 4,4,4-trifluoro-3-oxobutanoate is a fluorinated ж┬-keto ester. Its structure features a trifluoromethyl group (CF3) attached to the carbonyl system, which imparts unique electronic properties and metabolic stability to its derivatives. This compound is a key building block in medicinal chemistry for synthesizing trifluoromethylated heterocycles, such as pyrazoles, pyrimidines, and quinolines. These heterocycles are frequently found in active pharmaceutical ingredients (APIs) targeting anti-inflammatory, antiviral, and anticancer pathways. It is also widely used as a versatile synthetic intermediate in organic chemistry for introducing the CF3 group into complex molecules. Due to its high reactivity and the electron-withdrawing nature of the CF3 group, it serves as a crucial precursor in both pharmaceutical R&D and general organic synthesis, particularly for constructing fluorinated analogs of bioactive compounds.

Physical Properties

Melting Point: -39 °C

Boiling Point: 129-130 °C(lit.)

Flash Point: 38 °C

Density: 1.259 g/mL at 25 °C(lit.)

Solubility: 10 g/L (20 ºC)

Refractivity: n20/D 1.375(lit.)

Storage: Flammables area

Safety Information

Packing Level: III

Hazard Category: 3

Transport Codes: 3272