Description

5,5,5-Trifluoro-2-oxopentanoic acid (CAS No. 118311-18-5) is a high-purity fluorinated organic compound with the molecular formula C₅H₅F₃O₃. This keto acid derivative features a trifluoromethyl group at the terminal carbon, enhancing its reactivity and utility in synthetic chemistry applications. It is widely used as a versatile building block in pharmaceuticals, agrochemicals, and material science due to its unique trifluoromethylation potential. The compound is supplied as a crystalline solid with >98% purity (HPLC), ensuring optimal performance in research and industrial processes. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 118311-18-5
• Complexity: 172
• IUPAC Name: 5,5,5-trifluoro-2-oxo-pentanoic acid
• InChI: InChI=1S/C5H5F3O3/c6-5(7,8)2-1-3(9)4(10)11/h1-2H2,(H,10,11)
• InChI Key: QEYYZUYXOGLKSR-UHFFFAOYSA-N
• Exact Mass: 170.01907850
• Molecular Formula: C5H5F3O3
• Molecular Weight: 170.09
• SMILES: C(CC(F)(F)F)C(=O)C(=O)O
• Topological: 54.4
• Monoisotopic Mass: 170.01907850
• Synonyms: 5,5,5-Trifluoro-2-oxopentanoic acid, 118311-18-5, DTXSID00558399, DTXCID60509180, SCHEMBL311383, 5,5,5-Trifluoro-2-oxopentanoicacid, SBB053596, AKOS006318458

Application

5,5,5-Trifluoro-2-oxopentanoic acid serves as a key intermediate in the synthesis of fluorinated bioactive molecules, including protease inhibitors and antiviral agents. Its trifluoromethyl group is leveraged in medicinal chemistry to modulate lipophilicity and metabolic stability. Researchers also employ it in the development of advanced materials, such as liquid crystals and polymers with tailored properties. The compound’s reactivity makes it suitable for Pd-catalyzed cross-coupling reactions and nucleophilic substitutions.

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