CAS 1255206-68-8

4-Methyl-5-(oxiran-2-yl)-2-benzofuran-1(3H)-one

Description:

4-Methyl-5-(oxiran-2-yl)-2-benzofuran-1(3H)-one is a synthetic organic compound characterized by its unique molecular structure, which includes a benzofuran core and an epoxide group. This compound features a methyl group at the 4-position and an oxirane ring at the 5-position, contributing to its reactivity and potential applications in organic synthesis. The presence of the benzofuran moiety suggests that it may exhibit interesting biological activities, as many benzofuran derivatives are known for their pharmacological properties. The compound's CAS number, 1255206-68-8, allows for easy identification and retrieval of information in chemical databases. Its physical properties, such as solubility, melting point, and boiling point, would depend on the specific conditions and purity of the sample. Overall, 4-Methyl-5-(oxiran-2-yl)-2-benzofuran-1(3H)-one represents a class of compounds that may be of interest in medicinal chemistry and materials science due to their structural features and potential reactivity.

Formula: C₁₁H₁₀O₃

InChI: InChI=1S/C11H10O3/c1-6-7(10-5-13-10)2-3-8-9(6)4-14-11(8)12/h2-3,10H,4-5H2,1H3

InChI key: InChIKey=YQLAZVRXBCSLAI-UHFFFAOYSA-N

SMILES: CC1=C2C(=CC=C1C3CO3)C(=O)OC2

Synonyms:

• 1(3H)-Isobenzofuranone, 4-methyl-5-(2-oxiranyl)-
• 4-Methyl-5-(oxiran-2-yl)-2-benzofuran-1(3H)-one
• 4-Methyl-5-(2-oxiranyl)-1(3H)-isobenzofuranone