CAS 106660-13-3

Acetic acid, (3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-ylidene)-, methyl ester, (E)-

Description:

The chemical substance known as "Acetic acid, (3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-ylidene)-, methyl ester, (E)-" with CAS number 106660-13-3 is a synthetic organic compound characterized by its unique structure, which includes a benzoxazine moiety. This compound typically exhibits properties associated with both acetic acid derivatives and benzoxazine compounds, such as potential solubility in organic solvents and moderate polarity. The presence of the methyl ester functional group suggests that it may have applications in organic synthesis and as an intermediate in the production of various chemical products. Additionally, the (E)- configuration indicates a specific geometric arrangement around the double bond, which can influence its reactivity and interaction with biological systems. The compound may also exhibit biological activity, making it of interest in pharmaceutical research. However, detailed studies would be necessary to fully elucidate its properties, reactivity, and potential applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₁H₉NO₄

InChI: InChI=1S/C11H9NO4/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-6H,1H3,(H,12,14)/b9-6+

InChI key: InChIKey=PSMQHDIICKBXEF-RMKNXTFCSA-N

SMILES: C(\C(OC)=O)=C\1/OC=2C(NC1=O)=CC=CC2

Synonyms:

• 2H-1,4-Benzoxazine, acetic acid deriv.
• Acetic acid, (3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-ylidene)-, methyl ester, (E)-