CAS 886501-89-9

4-Oxo-2H-1,3-benzoxazine-3(4H)-hexanoic acid

Description:

4-Oxo-2H-1,3-benzoxazine-3(4H)-hexanoic acid, identified by its CAS number 886501-89-9, is a chemical compound that features a benzoxazine ring structure, which is characterized by a fused benzene and oxazine moiety. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, including potential stability and reactivity due to the presence of the oxo group. The hexanoic acid side chain contributes to its solubility in organic solvents and may influence its biological activity. Such compounds are often studied for their potential applications in pharmaceuticals, materials science, and as intermediates in organic synthesis. The presence of functional groups suggests that it may participate in various chemical reactions, including esterification and amidation. Additionally, the compound's structural features may confer specific interactions with biological targets, making it of interest in medicinal chemistry. However, detailed studies on its specific properties, such as melting point, boiling point, and reactivity, would be necessary to fully characterize its behavior in different environments.

Formula: C₁₄H₁₇NO₄

InChI: InChI=1S/C14H17NO4/c16-13(17)8-2-1-5-9-15-10-19-12-7-4-3-6-11(12)14(15)18/h3-4,6-7H,1-2,5,8-10H2,(H,16,17)

InChI key: InChIKey=INYIUMFHXNBYAP-UHFFFAOYSA-N

SMILES: O=C1C=2C(OCN1CCCCCC(O)=O)=CC=CC2

Synonyms:

• 2H-1,3-Benzoxazine-3(4H)-hexanoic acid, 4-oxo-
• 4-Oxo-2H-1,3-benzoxazine-3(4H)-hexanoic acid