Description

Ethyl 2-fluoro-3-oxobutanoate (CAS No. 1522-41-4) is a high-purity fluorinated ester with the molecular formula C₆H₉FO₃. This specialized chemical is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced organic chemistry research. Its unique structure, featuring a fluoro-substituted β-ketoester moiety, makes it a valuable building block for the preparation of fluorinated heterocycles and bioactive compounds. Available in >98% purity (GC), this product is rigorously tested for consistency and stability, ensuring optimal performance in demanding synthetic applications. Packaged under inert gas to prevent degradation, it is supplied in amber glass bottles with secure closures for maximum shelf life.

Properties

• CAS Number: 1522-41-4
• Complexity: 144
• IUPAC Name: ethyl 2-fluoro-3-oxo-butanoate
• InChI: InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
• InChI Key: SHTFQLHOTAJQRJ-UHFFFAOYSA-N
• Exact Mass: 148.05357231
• Molecular Formula: C6H9FO3
• Molecular Weight: 148.13
• SMILES: CCOC(=O)C(C(=O)C)F
• Topological: 43.4
• Monoisotopic Mass: 148.05357231
• Synonyms: ethyl 2-fluoro-3-oxobutanoate, 629-671-3, Ethyl 2-fluoroacetoacetate, 1522-41-4, 2-Fluoroacetoacetic Acid Ethyl Ester, ethyl-2-fluoroacetoacetate, MFCD00215830, 2-Fluoro-3-oxobutanoic acid ethyl ester, 2-Fluoro-3-oxobutanoic acid ethyl ester;Ethyl 2-fluoro-3-oxobutanoate;Ethyl 2-fluoro-3-oxobutyrate;NSC 24563, ethyl 2-fluoro-3-oxobutyrate, ethyl 2-fluoro-3-oxo-butanoate, butanoic acid, 2-fluoro-3-oxo-, ethyl ester, NSC24563, 2-fluoro-3-oxo-butyric acid ethyl ester, ethyl 2-fluoroacetoacetat, EC 629-671-3, ethyl 2-fluoro-acetoacetate, ethyl2-fluoro-3-oxobutanoate, SCHEMBL250103, DTXSID70282119, SHTFQLHOTAJQRJ-UHFFFAOYSA-N, BBL101791, NSC 24563, NSC-24563, SBB086575, STL555588, AKOS005063504, AT18756, FE78200, FS-3902, SY010210, DB-043134, CS-0151900, F0471, NS00008330, EN300-28252, Z254254500

Ethyl 2-fluoro-3-oxobutanoate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and fine chemicals. Researchers employ it in Knoevenagel condensations and Michael additions to introduce fluorine-containing motifs. The compound is particularly valuable for developing protease inhibitors and CNS-active agents due to its metabolic stability imparted by the fluorine atom. Industrial applications include its use in crop protection chemical synthesis and specialty material production.

Safety and Hazards

GHS Hazard Statements

• H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (97.6%)
• Eye Irrit. 2 (97.6%)
• STOT SE 3 (95.2%)

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