Description

Ethyl 2-(2,4,5-trifluorophenyl)acetate (CAS No. 1256470-41-3) is a high-purity fluorinated organic compound with the molecular formula C₁₀H₉F₃O₂. This ester derivative of (2,4,5-trifluorophenyl)acetic acid is a valuable building block in pharmaceutical and agrochemical research, particularly in the synthesis of fluorinated active ingredients. The compound features a phenyl ring system with three strategically placed fluorine atoms at the 2, 4, and 5 positions, offering unique electronic and steric properties for structure-activity relationship studies. Available in >95% purity by GC analysis, this material is supplied in amber glass vials under inert atmosphere to ensure stability. Suitable for use in nucleophilic substitutions, cross-coupling reactions, and other synthetic transformations where fluorine substitution patterns are critical.

Properties

• CAS Number: 1256470-41-3
• Complexity: 223
• IUPAC Name: ethyl 2-(2,4,5-trifluorophenyl)acetate
• InChI: InChI=1S/C10H9F3O2/c1-2-15-10(14)4-6-3-8(12)9(13)5-7(6)11/h3,5H,2,4H2,1H3
• InChI Key: BYCOSMGZZNULDT-UHFFFAOYSA-N
• Exact Mass: 218.05546401
• Molecular Formula: C10H9F3O2
• Molecular Weight: 218.17
• SMILES: CCOC(=O)CC1=CC(=C(C=C1F)F)F
• Topological: 26.3
• Monoisotopic Mass: 218.05546401
• Synonyms: Ethyl 2-(2,4,5-trifluorophenyl)acetate, 1256470-41-3, (2,4,5-Trifluorophenyl)acetic acid ethyl ester, C2KP37G4YF, SCHEMBL15490071, Ethyl 2,4,5-trifluorobenzeneacetate, Ethyl2-(2,4,5-trifluorophenyl)acetate, ethyl-2-(2,4,5-trifluorophenyl)acetate, BS-50553, CS-0151606, E76440, Benzeneacetic acid, 2,4,5-trifluoro-, ethyl ester

Application

Ethyl 2-(2,4,5-trifluorophenyl)acetate serves as a key intermediate in the synthesis of fluorinated drug candidates, particularly in CNS-active compounds where the trifluorophenyl moiety modulates blood-brain barrier penetration. The compound’s electron-deficient aromatic system makes it valuable for developing protease inhibitors and kinase modulators in oncology research. In material science, this ester is investigated as a precursor for liquid crystals and fluorinated polymers with enhanced thermal stability.

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