CAS 886502-01-8

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

Description:

4-Oxo-2H-1,3-benzoxazine-3(4H)-butanoic acid, identified by its CAS number 886502-01-8, is a heterocyclic compound featuring a benzoxazine ring structure. This compound typically exhibits characteristics associated with both aromatic and aliphatic systems, contributing to its unique chemical reactivity. The presence of the oxo group and the carboxylic acid functionality suggests that it may participate in various chemical reactions, including nucleophilic attacks and esterification. Its structural features may also impart specific solubility properties, influencing its behavior in different solvents. Additionally, compounds of this class can exhibit biological activity, making them of interest in pharmaceutical and material science research. The stability of the compound under various conditions, such as temperature and pH, can vary, and it may undergo transformations that affect its properties. Overall, 4-Oxo-2H-1,3-benzoxazine-3(4H)-butanoic acid represents a versatile structure with potential applications in diverse fields.

Formula: C₁₂H₁₃NO₄

InChI: InChI=1S/C12H13NO4/c14-11(15)6-3-7-13-8-17-10-5-2-1-4-9(10)12(13)16/h1-2,4-5H,3,6-8H2,(H,14,15)

InChI key: InChIKey=CNTYGIDWJTZEEA-UHFFFAOYSA-N

SMILES: O=C1C=2C(OCN1CCCC(O)=O)=CC=CC2

Synonyms:

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