Description

Ethyl 2,4,5-trifluorobenzoylacetate (CAS No. 98349-24-7) is a high-purity fluorinated organic compound with the molecular formula C₁₁H₉F₃O₃ and IUPAC name ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate. This specialty chemical is designed for advanced research and pharmaceutical applications, offering exceptional reactivity due to its trifluorinated aromatic ring and β-ketoester functionality. The compound is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), rigorously tested for consistency via HPLC, NMR, and mass spectrometry. Ideal for use as a building block in heterocyclic synthesis, cross-coupling reactions, or as a precursor for fluorinated active pharmaceutical ingredients (APIs). Packaged under inert gas in amber glass vials to ensure stability, with optional bulk quantities available for industrial-scale applications.

Properties

• CAS Number: 98349-24-7
• Complexity: 296
• IUPAC Name: ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate
• InChI: InChI=1S/C11H9F3O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-4H,2,5H2,1H3
• InChI Key: OTCJYVJORKMTHX-UHFFFAOYSA-N
• Exact Mass: 246.05037863
• Molecular Formula: C11H9F3O3
• Molecular Weight: 246.18
• SMILES: CCOC(=O)CC(=O)C1=CC(=C(C=C1F)F)F
• Topological: 43.4
• Monoisotopic Mass: 246.05037863
• Synonyms: Ethyl 2,4,5-trifluorobenzoylacetate, 98349-24-7, DTXSID60374557, Ethyl 2,4,5-Trifluoro-beta-oxobenzenepropanoate, DTXCID40325587, 619-340-1, ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate, 3-oxo-3-(2,4,5-trifluoro-phenyl)-propionic acid ethyl ester, MFCD00792431, Ethyl (2,4,5-trifluorobenzoyl)acetate, Ethyl 2,4,5-Triflurobenzoflacetate, Ethyl 2 pound not4 pound not5-trifluorobenzoylacetate, ethyl2,4,5-trifluorobenzoylacetate, SCHEMBL670736, OTCJYVJORKMTHX-UHFFFAOYSA-N, BCP12385, SBB055420, ethyl 2,4,5-trifluoro-benzoylacetate, AKOS015853241, AC-9843, PS-7522, SB40349, SY019182, DB-057722, CS-0033524, E1425, NS00124177, ST50949953, 2,4,5-trifluoro-beta-oxobenzenepropanoic acid, ethyl ester, 2,4,5-trifluoro-beta-oxo-benzenepropanoic acid, ethyl ester, ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate;3-oxo-3-(2,4,5-trifluoro-phenyl)-propionic acid ethyl ester

Application

Ethyl 2,4,5-trifluorobenzoylacetate serves as a versatile intermediate in medicinal chemistry, particularly for synthesizing fluorinated quinolone antibiotics and kinase inhibitors. Its β-ketoester moiety enables efficient cyclization reactions to construct pyrazole and pyrimidine scaffolds. The electron-deficient trifluorophenyl ring enhances binding affinity in drug candidates targeting CNS disorders. Researchers also utilize this compound in Pd-catalyzed cross-couplings for material science applications.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Corr. 1B (50%)
• Acute Tox. 4 (50%)

If you are interested or have any questions, please contact us at support@atomfair.com

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