Description

Ethyl 4,4-difluoro-3-oxobutanoate (CAS No. 352-24-9) is a high-purity fluorinated organic compound with the molecular formula C₆H₈F₂O₃. This ester derivative of difluoroacetoacetic acid is a versatile building block in synthetic organic chemistry, particularly for the preparation of fluorinated heterocycles and pharmaceuticals. The compound features a reactive β-ketoester moiety with two fluorine atoms at the 4-position, enabling unique reactivity patterns in nucleophilic and electrophilic transformations. With a molecular weight of 166.12 g/mol, this liquid reagent offers excellent solubility in common organic solvents like ethanol, acetone, and dichloromethane. Our product is rigorously tested by GC-MS and ¹H/¹⁹F NMR to ensure >98% purity, making it ideal for sensitive applications in medicinal chemistry and material science research. Available in amber glass bottles under inert atmosphere to guarantee stability.

Properties

• CAS Number: 352-24-9
• Complexity: 156
• IUPAC Name: ethyl 4,4-difluoro-3-oxo-butanoate
• InChI: InChI=1S/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3
• InChI Key: CBDPWKVOPADMJC-UHFFFAOYSA-N
• Exact Mass: 166.04415044
• Molecular Formula: C6H8F2O3
• Molecular Weight: 166.12
• SMILES: CCOC(=O)CC(=O)C(F)F
• Topological: 43.4
• Monoisotopic Mass: 166.04415044
• Synonyms: 352-24-9, Ethyl 4,4-difluoroacetoacetate, Ethyl difluoroacetoacetate, Butanoic acid, 4,4-difluoro-3-oxo-, ethyl ester, EINECS 206-519-0, DTXSID2059851, DTXCID1038957, ethyl 4,4-difluoro-3-oxobutanoate, Ethyl 4,4-difluoro-3-oxobutyrate, MFCD00039277, 4,4-Difluoroacetoacetic Acid Ethyl Ester, 4,4-difluoro-3-oxo-butyric acid ethyl ester, Ethyl 4,4-Difluoro-3-oxobutyrate; 4,4-Difluoro-3-oxo-butanoic Acid Ethyl Ester; 4,4-Difluoro-3-oxo-butyric Acid Ethyl Ester; 4,4-Difluoro-3-oxobutanoic Acid Ethyl Ester; Ethyl 4,4-Difluoro-3-oxobutanoate;, ethyl 4,4-difluoro-3-oxo-butanoate, SCHEMBL18890, ethyl 4,4-difluoro(acetoacetate), ethyl 4,4-difluoro-3-ketobutyrate, FD2057, SBB021371, STK312810, AKOS000305790, CS-W009248, DS-14761, SY016930, DB-048758, 4,4-Difluoro-3-oxobutanoic acid ethyl ester, 4,4-Difluoro-3-oxobutyric Acid Ethyl Ester, E1018, NS00029805, ST45091945, 4,4-difluoro-3-oxo-butanoic acid ethyl ester, EN300-65605, F8888-6294

Application

Ethyl 4,4-difluoro-3-oxobutanoate serves as a key fluorinated synthon in pharmaceutical intermediate synthesis, particularly for introducing difluoromethyl groups into target molecules. The compound’s β-ketoester functionality enables its use in Claisen condensations and Michael additions for constructing complex fluorinated architectures. Researchers employ this reagent in the development of protease inhibitors and other bioactive molecules where fluorine substitution modulates metabolic stability. In material science, it acts as a precursor for fluorinated polymers with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H226 (16.3%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (16.3%)
• Skin Irrit. 2 (95.9%)
• Eye Irrit. 2A (98%)

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