Description

Ethyl 2-fluoro-6-methylbenzoate (CAS No. 90259-30-6) is a high-purity fluorinated aromatic ester with the molecular formula C₁₀H₁₁FO₂. This compound is a valuable building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. Its structure features a fluorine substituent at the ortho position and a methyl group at the meta position relative to the ester functionality, offering unique reactivity for selective transformations. The product is supplied as a clear, colorless to pale yellow liquid with ≥95% purity (GC), ensuring consistency for research and industrial applications. It is stored under inert conditions to maintain stability and is compatible with standard laboratory handling protocols. Ideal for use in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced intermediates.

Properties

• CAS Number: 90259-30-6
• Complexity: 182
• IUPAC Name: ethyl 2-fluoro-6-methyl-benzoate
• InChI: InChI=1S/C10H11FO2/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h4-6H,3H2,1-2H3
• InChI Key: CVCGEHIXXHWFDO-UHFFFAOYSA-N
• Exact Mass: 182.07430775
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.19
• SMILES: CCOC(=O)C1=C(C=CC=C1F)C
• Topological: 26.3
• Monoisotopic Mass: 182.07430775
• Synonyms: Ethyl 2-fluoro-6-methylbenzoate, 90259-30-6, ETHYL2-FLUORO-6-METHYLBENZOATE, Benzoic acid, 2-fluoro-6-methyl-, ethyl ester, MFCD11870183, SCHEMBL28391542, DTXSID20673275, AKOS022176945, DS-8067, DA-34302, S10861

Application

Ethyl 2-fluoro-6-methylbenzoate is widely utilized as a key intermediate in the synthesis of fluorinated active pharmaceutical ingredients (APIs) and agrochemicals. Its electron-deficient aromatic ring facilitates electrophilic substitutions and metal-catalyzed coupling reactions. Researchers employ this compound in the development of novel herbicides, anti-inflammatory agents, and liquid crystal materials. The fluorine atom enhances metabolic stability in drug candidates, making it valuable for medicinal chemistry applications.

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