CAS 876717-54-3

6-(1,1-Dimethylethyl)-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid

Description:

6-(1,1-Dimethylethyl)-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid, identified by its CAS number 876717-54-3, is a chemical compound that belongs to the class of benzoxazines. This compound features a benzoxazine ring, which is characterized by a fused benzene and oxazine structure, contributing to its unique chemical properties. The presence of a 1,1-dimethylethyl group enhances its hydrophobic characteristics, potentially influencing its solubility and reactivity. The acetic acid moiety suggests that it may exhibit acidic properties, which could be relevant in various chemical reactions or biological interactions. Additionally, the diketone functionality within the structure indicates potential reactivity, allowing for further derivatization or participation in condensation reactions. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or materials science, although specific applications would depend on further research into its biological activity and chemical behavior.

Formula: C₁₄H₁₇NO₄

InChI: InChI=1S/C14H17NO4/c1-14(2,3)9-4-5-11-10(6-9)15(7-13(17)18)12(16)8-19-11/h4-6H,7-8H2,1-3H3,(H,17,18)

InChI key: InChIKey=XICYYKNNXZERPT-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1C=2C(=CC=C(C(C)(C)C)C2)OCC1=O

Synonyms:

• 2-(6-tert-Butyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
• (6-tert-Butyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
• (6-tert-Butyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetic acid
• 4H-1,4-Benzoxazine-4-acetic acid, 6-(1,1-dimethylethyl)-2,3-dihydro-3-oxo-
• 6-(1,1-Dimethylethyl)-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid