CAS 924860-66-2

7-(Chloromethyl)-4,5,6-triethoxy-1(3H)-isobenzofuranone

Description:

7-(Chloromethyl)-4,5,6-triethoxy-1(3H)-isobenzofuranone, identified by its CAS number 924860-66-2, is a synthetic organic compound characterized by its complex structure, which includes a fused isobenzofuranone moiety. This compound features three ethoxy groups and a chloromethyl substituent, contributing to its unique reactivity and potential applications in organic synthesis. The presence of the chloromethyl group suggests that it may participate in nucleophilic substitution reactions, making it a useful intermediate in the synthesis of more complex molecules. The triethoxy groups enhance its solubility in organic solvents and may influence its electronic properties, potentially affecting its reactivity and interaction with biological systems. As with many synthetic compounds, safety and handling precautions are essential, as the chloromethyl group can be reactive and may pose health risks. Overall, this compound's distinctive structure and functional groups make it a subject of interest in medicinal chemistry and materials science.

Formula: C₁₅H₁₉ClO₅

InChI: InChI=1S/C15H19ClO5/c1-4-18-12-9(7-16)11-10(8-21-15(11)17)13(19-5-2)14(12)20-6-3/h4-8H2,1-3H3

InChI key: InChIKey=KHGDJDVSCPSGQH-UHFFFAOYSA-N

SMILES: O(CC)C1=C2C(=C(CCl)C(OCC)=C1OCC)C(=O)OC2

Synonyms:

• 7-(Chloromethyl)-4,5,6-triethoxy-1(3H)-isobenzofuranone
• 1(3H)-Isobenzofuranone, 7-(chloromethyl)-4,5,6-triethoxy-