CAS 899710-25-9

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

Description:

α-Ethyl-2,3-dihydro-2-methyl-3-oxo-4H-1,4-benzoxazine-4-acetic acid, identified by its CAS number 899710-25-9, 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 and methyl substituents suggests that it may have interesting steric and electronic properties, potentially influencing its solubility and reactivity in various chemical environments. Benzoxazines are known for their applications in materials science, particularly as precursors to thermosetting resins and in the development of polymers. The specific structure of this compound may also impart biological activity, making it of interest in medicinal chemistry. Overall, its unique structural features and functional groups suggest potential utility in various chemical and industrial applications.

Formula: C₁₃H₁₅NO₄

InChI: InChI=1S/C13H15NO4/c1-3-9(13(16)17)14-10-6-4-5-7-11(10)18-8(2)12(14)15/h4-9H,3H2,1-2H3,(H,16,17)

InChI key: InChIKey=PHHQPAMCZCDDGC-UHFFFAOYSA-N

SMILES: C(C(O)=O)(CC)N1C=2C(OC(C)C1=O)=CC=CC2

Synonyms:

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