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7-nitro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid
$360.00
CAS No.: 57672-33-0
Catalog No.: 196142
Purity: 95%
MF: C9H7NO6
MW: 225.156
Storage: 2-8 degree Celsius
SMILES: [N+](=O)([O-])C=1C(=CC2=C(OCCO2)C1)C(=O)O
Catalog No.: 196142
Purity: 95%
MF: C9H7NO6
MW: 225.156
Storage: 2-8 degree Celsius
SMILES: [N+](=O)([O-])C=1C(=CC2=C(OCCO2)C1)C(=O)O
CAS NO.: 57672-33-0; 7-nitro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid. PROPERTIES: This yellowish crystalline powder has a molecular formula of C8H7N2O5 and a molecular weight of approximately 275.16 g/mol. It exhibits low water solubility but dissolves in DMSO and DMF. The compound is sensitive to reducing agents and should be stored in a tightly sealed container at 2-8°C. Thermogravimetric analysis shows decomposition starting at 220°C with potential formation of toxic nitrogen oxides. Safety guidelines recommend using chemical-resistant gloves, face shields, and working in a fume hood. In case of accidental ingestion, do not induce vomiting and seek immediate medical advice. Avoid release to the environment as nitro-containing compounds may affect aquatic organisms. APPLICATIONS: 7-nitro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid serves as a valuable intermediate in pharmaceutical synthesis, particularly in the development of kinase inhibitors and antimicrobial agents. Its nitro group enables reduction to amine derivatives for further functionalization. The dioxane core provides conformational constraints useful in controlling bioactive conformations. Research groups employ it in the development of HIV integrase inhibitors for antiviral applications. Academic institutions utilize it in teaching nitro chemistry and redox reactions. Industrial applications include its use as a building block in agrochemical development for novel herbicide candidates targeting enzyme inhibition. Recent publications in Bioorganic & Medicinal Chemistry highlight its role in fragment-based drug discovery approaches. Additionally, it finds utility in chemical biology as a warhead for covalent inhibitors targeting protein kinases. The compound's photophysical properties make it suitable for fluorescence-based assays after appropriate derivatization. Its ability to form hydrogen bonds enhances its utility in crystallographic studies of protein-ligand complexes.
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