Description

Ethyl 5-(4-fluorophenyl)-5-oxovalerate (CAS No. 342636-36-6) is a high-purity organic compound with the molecular formula C₁₃H₁₅FO₃. This ester derivative features a 4-fluorophenyl ketone moiety, making it a valuable intermediate in pharmaceutical and fine chemical synthesis. Its IUPAC name, ethyl 5-(4-fluorophenyl)-5-oxopentanoate, reflects its precise structural configuration. With a molecular weight of 238.26 g/mol, this compound is characterized by its clear to pale-yellow appearance and is typically supplied as a liquid or low-melting solid. It is ideal for researchers requiring a fluorinated building block for drug discovery, material science, or agrochemical applications. Store in a cool, dry place under inert conditions to ensure stability.

Properties

• CAS Number: 342636-36-6
• Complexity: 257
• IUPAC Name: ethyl 5-(4-fluorophenyl)-5-oxo-pentanoate
• InChI: InChI=1S/C13H15FO3/c1-2-17-13(16)5-3-4-12(15)10-6-8-11(14)9-7-10/h6-9H,2-5H2,1H3
• InChI Key: TWLQYFQKWODQQD-UHFFFAOYSA-N
• Exact Mass: 238.10052250
• Molecular Formula: C13H15FO3
• Molecular Weight: 238.25
• SMILES: CCOC(=O)CCCC(=O)C1=CC=C(C=C1)F
• Topological: 43.4
• Monoisotopic Mass: 238.10052250
• Synonyms: ETHYL 5-(4-FLUOROPHENYL)-5-OXOVALERATE, 342636-36-6, ethyl 5-(4-fluorophenyl)-5-oxopentanoate, MFCD01311503, SCHEMBL2743554, DTXSID10592567, AKOS016022648, AS-63734, DB-230420, CS-0061626, A12437, ETHYL5-(4-FLUOROPHENYL)-5-OXOVALERATE

Application

Ethyl 5-(4-fluorophenyl)-5-oxovalerate serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) targeting CNS disorders. Its ketone and ester functional groups enable further derivatization via reduction, condensation, or nucleophilic addition reactions. Researchers also utilize this compound in the preparation of fluorinated liquid crystals and specialty polymers. Its compatibility with Grignard reagents and organolithium compounds makes it a preferred choice for advanced organic synthesis.

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