CAS 1007876-02-9

3,4-Dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid

Description:

3,4-Dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-5-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 acidity and potential reactivity. The presence of a ketone group (3-oxo) and a methyl substituent enhances its chemical properties, influencing its solubility and interaction with other molecules. Typically, compounds of this nature may exhibit biological activity, making them of interest in medicinal chemistry and drug development. The molecular structure suggests potential for hydrogen bonding due to the carboxylic acid, which can affect its physical properties such as melting point and solubility in polar solvents. Additionally, the compound may participate in various chemical reactions, including condensation and substitution, due to the functional groups present. Overall, 3,4-Dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid represents a versatile structure with potential applications in pharmaceuticals and organic synthesis.

Formula: C₁₀H₉NO₄

InChI: InChI=1S/C10H9NO4/c1-11-8(12)5-15-7-4-2-3-6(9(7)11)10(13)14/h2-4H,5H2,1H3,(H,13,14)

InChI key: InChIKey=CAELGQVNTXIXQC-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C2C(OCC(=O)N2C)=CC=C1

Synonyms:

• 2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-4-methyl-3-oxo-
• 4-Methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-5-carboxylic acid
• 3,4-Dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid

4-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid

CAS: 1007876-02-9

Versatile small molecule scaffold

Formula: C₁₀H₉NO₄

Purity: Min. 95%

Molecular weight: 207.18 g/mol

Ref: 3D-HQB87602