CAS 1092352-74-3

3,4-Dihydro-2,4-dimethyl-3-oxo-2H-1,4-benzoxazine-6-carboxylic acid

Description:

3,4-Dihydro-2,4-dimethyl-3-oxo-2H-1,4-benzoxazine-6-carboxylic acid is a chemical compound characterized by its unique bicyclic structure, which includes a benzoxazine ring. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of two methyl groups at the 2 and 4 positions of the benzoxazine ring influences its steric and electronic properties, potentially affecting its reactivity and solubility. The keto group at the 3 position adds to its functionality, making it a candidate for various chemical reactions, including condensation and substitution reactions. The compound's molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. As with many organic compounds, safety data and handling precautions should be considered, especially regarding its reactivity and potential toxicity.

Formula: C₁₁H₁₁NO₄

InChI: InChI=1S/C11H11NO4/c1-6-10(13)12(2)8-5-7(11(14)15)3-4-9(8)16-6/h3-6H,1-2H3,(H,14,15)

InChI key: InChIKey=LUJIBMNZMWTEDM-UHFFFAOYSA-N

SMILES: CN1C=2C(OC(C)C1=O)=CC=C(C(O)=O)C2

Synonyms:

• 3,4-Dihydro-2,4-dimethyl-3-oxo-2H-1,4-benzoxazine-6-carboxylic acid
• 2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-2,4-dimethyl-3-oxo-