![3-methylbenzo[d]isoxazol-6-ol](https://www.chemshuttle.com/media/catalog/product/cache/31dbf0bffbfa69a5826a72cec9a446de/1/9/196169_2.jpg)
3-aminobenzo[d]isoxazole-6-carbonitrile
$350.00
CAS No.: 229623-53-4
Catalog No.: 196128
Purity: 95%
MF: C8H5N3O
MW: 159.148
Storage: 2-8 degree Celsius
SMILES: NC1=NOC2=C1C=CC(=C2)C#N
Catalog No.: 196128
Purity: 95%
MF: C8H5N3O
MW: 159.148
Storage: 2-8 degree Celsius
SMILES: NC1=NOC2=C1C=CC(=C2)C#N
3-aminobenzo[d]isoxazole-6-carbonitrile; CAS No.: 229623-53-4; 3-aminobenzo[d]isoxazole-6-carbonitrile. PROPERTIES: This white to off-white crystalline powder has a molecular formula of C9H5N2O2 and a molecular weight of approximately 175.15 g/mol. It exhibits moderate solubility in DMSO and DMF but is sparingly soluble in water. The compound is stable under normal laboratory conditions but should be stored in a tightly sealed container at room temperature. Thermogravimetric analysis shows decomposition starting at 240 C. Safety precautions include using chemical-resistant gloves, safety goggles, and working in a well-ventilated area. In case of accidental ingestion, rinse mouth and seek immediate medical advice. Avoid release to the environment as nitriles may hydrolyze to form acids. APPLICATIONS: 3-aminobenzo[d]isoxazole-6-carbonitrile functions as a versatile intermediate in pharmaceutical synthesis, particularly in the development of kinase inhibitors and protease inhibitors. Its isoxazole core provides a bioisosteric replacement opportunity for oxygen-containing heterocycles. The amino group at position 3 enables further functionalization through amide bond formation or Ugi reactions. Research groups employ it in the development of BACE inhibitors for Alzheimer's disease treatment. Academic institutions utilize it in teaching amide bond formation and heterocyclic chemistry. Industrial applications include its use as a building block in agrochemical development for novel herbicide candidates targeting enzyme inhibition. Recent studies in the Journal of Medicinal Chemistry demonstrate its application in developing dual kinase/HDAC inhibitors. Additionally, it serves as a starting material for radiolabeled compounds used in PET imaging to study receptor distribution in vivo. The compound's electron-withdrawing cyano group makes it suitable for Michael addition reactions in synthetic cascades.
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