CAS 7653-60-3

3-Methyl-1,4-benzoxazin-2-one

Description:

3-Methyl-1,4-benzoxazin-2-one, with the CAS number 7653-60-3, is a heterocyclic organic compound characterized by its benzoxazine structure, which consists of a fused benzene and oxazine ring. This compound typically exhibits a white to pale yellow crystalline appearance. It is known for its role in various chemical reactions, particularly in the synthesis of more complex organic molecules. The presence of the methyl group at the 3-position of the benzoxazine ring influences its reactivity and solubility properties. 3-Methyl-1,4-benzoxazin-2-one is often studied for its potential applications in pharmaceuticals, agrochemicals, and as a precursor in organic synthesis. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Its stability and reactivity can vary depending on environmental conditions such as temperature and pH. As with many organic compounds, proper handling and safety precautions are essential due to potential toxicity or reactivity.

Formula: C₉H₇NO₂

InChI: InChI=1S/C9H7NO2/c1-6-9(11)12-8-5-3-2-4-7(8)10-6/h2-5H,1H3

InChI key: InChIKey=PEEMVDRTQBESEN-UHFFFAOYSA-N

SMILES: CC1=NC=2C(OC1=O)=CC=CC2

Synonyms:

• 3-Methyl-1,4-benzoxazin-2-one
• 2H-1,4-Benzoxazin-2-one, 3-methyl-
• 3-Methyl-2H-1,4-benzoxazin-2-one
• 3-Methyl-2H-benzo[b][1,4]oxazin-2-one