Description

6-Fluoro-3-methylbenzo[d]isoxazol-5-amine (CAS No. 221559-22-4) is a high-purity heterocyclic compound with the molecular formula C₈H₇FN₂O. This specialized chemical features a benzisoxazole core substituted with a fluorine atom at the 6-position, a methyl group at the 3-position, and an amine functionality at the 5-position, making it a valuable intermediate for pharmaceutical and agrochemical research. With a molecular weight of 166.16 g/mol, it is supplied as a fine powder or crystalline solid with ≥95% purity (HPLC). Ideal for medicinal chemistry applications, this compound is rigorously tested for consistency and stability, ensuring reliable performance in nucleophilic substitution reactions, cross-coupling reactions, and as a building block for bioactive molecule synthesis. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 221559-22-4
• Complexity: 178
• IUPAC Name: 6-fluoro-3-methyl-1,2-benzoxazol-5-amine
• InChI: InChI=1S/C8H7FN2O/c1-4-5-2-7(10)6(9)3-8(5)12-11-4/h2-3H,10H2,1H3
• InChI Key: OIUPYMDYYMKAMI-UHFFFAOYSA-N
• Exact Mass: 166.05424101
• Molecular Formula: C8H7FN2O
• Molecular Weight: 166.15
• SMILES: CC1=NOC2=CC(=C(C=C12)N)F
• Topological: 52.1
• Monoisotopic Mass: 166.05424101
• Synonyms: 6-Fluoro-3-methylbenzo[d]isoxazol-5-amine, 221559-22-4, 6-FLUORO-3-METHYL-1,2-BENZOXAZOL-5-AMINE, 1,2-Benzisoxazol-5-amine,6-fluoro-3-methyl-(9CI), SCHEMBL6850450, DTXSID60592719, TQR0810, OIUPYMDYYMKAMI-UHFFFAOYSA-N, MB12240, CS-0183614, 5-amino-6-fluoro-3-methyl-1,2-benzisoxazole

Application

6-Fluoro-3-methylbenzo[d]isoxazol-5-amine is primarily employed as a key synthetic intermediate in the development of CNS-active pharmaceuticals, particularly for antipsychotic and antidepressant drug candidates. Its benzisoxazole scaffold is utilized in structure-activity relationship (SAR) studies to optimize binding affinity to serotonin and dopamine receptors. Researchers also leverage its reactive amine group for derivatization into amides, sulfonamides, or heterocyclic fused systems. Additionally, it serves as a precursor in the synthesis of fluorinated agrochemicals due to its enhanced metabolic stability.

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