CAS 899710-23-7

α-Ethyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid

Description:

α-Ethyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid, identified by its CAS number 899710-23-7, is a chemical compound that belongs to the class of benzoxazines, which are characterized by a fused benzene and oxazine ring structure. This compound typically exhibits a range of functional groups, including a carboxylic acid, which contributes to its acidity and potential reactivity. The presence of the ethyl group suggests that it may have hydrophobic characteristics, influencing its solubility in organic solvents. The diketone functionality (3-oxo) may allow for various chemical transformations, making it a potential candidate for synthetic applications in organic chemistry. Additionally, benzoxazines are known for their thermal stability and potential use in polymer chemistry, particularly in the development of thermosetting resins. The specific properties, such as melting point, boiling point, and solubility, would need to be determined experimentally or sourced from chemical databases for precise applications. Overall, this compound may have implications in materials science and medicinal chemistry, depending on its reactivity and functional properties.

Formula: C₁₂H₁₃NO₄

InChI: InChI=1S/C12H13NO4/c1-2-8(12(15)16)13-9-5-3-4-6-10(9)17-7-11(13)14/h3-6,8H,2,7H2,1H3,(H,15,16)

InChI key: InChIKey=NKHFPPQOFJMSST-UHFFFAOYSA-N

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

Synonyms:

• 4H-1,4-Benzoxazine-4-acetic acid, α-ethyl-2,3-dihydro-3-oxo-
• α-Ethyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid