Description

3-Acetylamino-2-fluorobenzylalcohol (CAS No. 1003707-72-9) is a high-purity fluorinated aromatic compound with the molecular formula C₉H₁₀FNO₂. Also known by its IUPAC name N-[2-fluoro-3-(hydroxymethyl)phenyl]acetamide, this specialized chemical features a benzyl alcohol moiety combined with an acetamide group, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. Its unique structure, characterized by a fluorine substituent at the ortho position relative to the hydroxymethyl group, enhances its reactivity in nucleophilic substitution and cross-coupling reactions. This product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. Ideal for medicinal chemistry, it serves as a precursor in the development of bioactive molecules, particularly kinase inhibitors and antimicrobial agents. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 1003707-72-9
• Complexity: 186
• IUPAC Name: N-[2-fluoro-3-(hydroxymethyl)phenyl]acetamide
• InChI: InChI=1S/C9H10FNO2/c1-6(13)11-8-4-2-3-7(5-12)9(8)10/h2-4,12H,5H2,1H3,(H,11,13)
• InChI Key: RDDPUGYWTSWILJ-UHFFFAOYSA-N
• Exact Mass: 183.06955672
• Molecular Formula: C9H10FNO2
• Molecular Weight: 183.18
• SMILES: CC(=O)NC1=CC=CC(=C1F)CO
• Topological: 49.3
• Monoisotopic Mass: 183.06955672
• Synonyms: 3-ACETYLAMINO-2-FLUOROBENZYLALCOHOL, 1003707-72-9, N-[2-fluoro-3-(hydroxymethyl)phenyl]acetamide, N-(2-Fluoro-3-(hydroxymethyl)phenyl)acetamide, Acetamide, N-[2-fluoro-3-(hydroxymethyl)phenyl]-, ACETAMIDE,N-[2-FLUORO-3-(HYDROXYMETHYL)PHENYL]-, DTXSID10652094, MFCD09835206, AKOS006327696, DB-252332

Application

3-Acetylamino-2-fluorobenzylalcohol is primarily used as a key synthetic intermediate in medicinal chemistry for the development of fluorinated drug candidates. Its reactive hydroxymethyl and acetamide groups enable facile derivatization into heterocyclic scaffolds, such as benzoxazoles and quinazolines, which are common in kinase inhibitor design. The fluorine atom enhances metabolic stability and bioavailability in target molecules, making this compound valuable for optimizing lead structures in oncology and CNS drug discovery. Researchers also utilize it in peptide mimetics and PROTAC (Proteolysis-Targeting Chimera) linker synthesis due to its balanced polarity.

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