Description

Methyl 2-fluoro-beta-oxobenzenepropanoate (CAS No. 185302-86-7) is a high-purity fluorinated organic compound with the molecular formula C₁₀H₉FO₃. This ester derivative, also known as methyl 3-(2-fluorophenyl)-3-oxopropanoate, is a versatile building block in synthetic organic chemistry, particularly for pharmaceutical and agrochemical research. Its unique structure, featuring a fluorine-substituted aromatic ring and a reactive β-ketoester moiety, makes it valuable for nucleophilic substitutions, cyclizations, and other key transformations. Available in >98% purity (GC), this compound is supplied in rigorously tested batches with detailed analytical certificates (COA, MSDS). Ideal for researchers requiring precise fluorinated intermediates, it is packaged under inert conditions to ensure stability and longevity.

Properties

• CAS Number: 185302-86-7
• Complexity: 227
• IUPAC Name: methyl 3-(2-fluorophenyl)-3-oxo-propanoate
• InChI: InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
• InChI Key: HVFIYFIBZJWQAE-UHFFFAOYSA-N
• Exact Mass: 196.05357231
• Molecular Formula: C10H9FO3
• Molecular Weight: 196.17
• SMILES: COC(=O)CC(=O)C1=CC=CC=C1F
• Topological: 43.4
• Monoisotopic Mass: 196.05357231
• Synonyms: 185302-86-7, Methyl 2-fluoro-beta-oxobenzenepropanoate, methyl 3-(2-fluorophenyl)-3-oxopropanoate, methyl 2-fluorobenzoylacetate, 3-(2-Fluoro-phenyl)-3-oxo-propionic acid methyl ester, 592533-70-5, MFCD03424763, 3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYLESTER, 2-Fluoro-b-oxo-benzenepropanoic acid methyl ester, Methyl2-fluorobenzoylacetate, SCHEMBL3692544, Methyl-2′-fluorobenzoyl acetate, HVFIYFIBZJWQAE-UHFFFAOYSA-N, DTXSID901282232, AB7528, AKOS006276120, AS-44851, methyl3-(2-fluorophenyl)-3-oxopropanoate, SY122679, Methyl 2-fluoro-I(2)-oxobenzenepropanoate, DB-065531, DB-334784, CS-0150724, Benzenepentanoic acid, 3-fluoro-b-oxo-, methyl ester

Application

Methyl 2-fluoro-beta-oxobenzenepropanoate is widely used as a precursor in the synthesis of fluorinated heterocycles and active pharmaceutical ingredients (APIs). Its β-ketoester functionality enables participation in Claisen condensations and Michael additions, while the 2-fluorophenyl group enhances bioavailability in drug candidates. Researchers employ this compound in developing kinase inhibitors, anti-inflammatory agents, and other fluorine-containing therapeutics. It also serves as a key intermediate in material science for designing fluorinated polymers with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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