CAS 1087784-75-5

7-Bromo-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propanoic acid

Description:

7-Bromo-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propanoic acid is a chemical compound characterized by its unique structural features, which include a benzoxazine ring and a propanoic acid moiety. The presence of a bromine atom at the 7-position contributes to its reactivity and potential biological activity. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which can influence its solubility and interaction with other molecules. The diketone functionality (3-oxo) suggests potential for tautomerism and reactivity in various chemical environments. Additionally, the carboxylic acid group may impart acidic characteristics, allowing for hydrogen bonding and interactions with polar solvents. Its molecular structure indicates potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. However, specific physical properties such as melting point, boiling point, and solubility would require empirical measurement or literature reference for precise characterization. Overall, this compound's unique features make it a subject of interest in chemical research and development.

Formula: C₁₁H₁₀BrNO₄

InChI: InChI=1S/C11H10BrNO4/c12-7-1-2-8-9(5-7)17-6-10(14)13(8)4-3-11(15)16/h1-2,5H,3-4,6H2,(H,15,16)

InChI key: InChIKey=IWEVEABQPMVYFG-UHFFFAOYSA-N

SMILES: C(CC(O)=O)N1C=2C(OCC1=O)=CC(Br)=CC2

Synonyms:

• 4H-1,4-Benzoxazine-4-propanoic acid, 7-bromo-2,3-dihydro-3-oxo-
• 7-Bromo-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propanoic acid