Description

Ethyl 2-(3-fluorophenyl)acetate (CAS No. 587-47-3) is a high-purity fluorinated organic ester with the molecular formula C₁₀H₁₁FO₂. This compound is widely utilized in pharmaceutical research, agrochemical synthesis, and as a versatile intermediate in organic chemistry. Its IUPAC name, ethyl 2-(3-fluorophenyl)acetate, reflects its structural composition, featuring a fluorinated phenyl ring coupled with an ethyl acetate moiety. The presence of the fluorine atom enhances its reactivity, making it valuable for cross-coupling reactions, esterifications, and as a precursor for bioactive molecules. Available in >98% purity (GC), this product is rigorously tested for consistency, ensuring optimal performance in sensitive applications. Packaged under inert gas to prevent degradation, it is ideal for researchers requiring reliable fluorinated building blocks.

Properties

• CAS Number: 587-47-3
• Complexity: 170
• IUPAC Name: ethyl 2-(3-fluorophenyl)acetate
• InChI: InChI=1S/C10H11FO2/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3
• InChI Key: PCRDXLQMKAJOMZ-UHFFFAOYSA-N
• Exact Mass: 182.07430775
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.19
• SMILES: CCOC(=O)CC1=CC(=CC=C1)F
• Topological: 26.3
• Monoisotopic Mass: 182.07430775
• Synonyms: Ethyl 2-(3-fluorophenyl)acetate, 587-47-3, ethyl2-(3-fluorophenyl)acetate, Benzeneacetic acid, 3-fluoro-, ethyl ester, Ethyl (3-fluorophenyl)acetate, SCHEMBL2485584, DTXSID80471294, PCRDXLQMKAJOMZ-UHFFFAOYSA-N, AB7209, AKOS008949033, AS-60136, CS-0151602

Application

Ethyl 2-(3-fluorophenyl)acetate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including non-steroidal anti-inflammatory drugs (NSAIDs) and CNS-active compounds. Its fluorophenyl group is instrumental in modulating lipophilicity and metabolic stability in drug candidates. Additionally, it is employed in agrochemical research for developing fluorinated pesticides and herbicides. The ester functionality allows for further derivatization via hydrolysis or transesterification, enabling tailored modifications for target applications.

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