Description

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methylbenzoate (CAS: 404857-24-5) is a high-purity organic compound with the molecular formula C₁₆H₁₁NO₄. This specialized chemical features an isoindole-1,3-dione core esterified with a 2-methylbenzoate group, making it a valuable intermediate for pharmaceutical and materials science research. The compound is supplied as a solid with >95% purity (HPLC) and is characterized by NMR, MS, and elemental analysis for quality assurance. Ideal for use in heterocyclic chemistry, this product is packaged under inert gas to ensure stability and is available in quantities ranging from milligrams to kilograms to suit your research needs.

Properties

• CAS Number: 404857-24-5
• Complexity: 437
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 2-methylbenzoate
• InChI: InChI=1S/C16H11NO4/c1-10-6-2-3-7-11(10)16(20)21-17-14(18)12-8-4-5-9-13(12)15(17)19/h2-9H,1H3
• InChI Key: QIHDJZNKQQJPTQ-UHFFFAOYSA-N
• Exact Mass: 281.06880783
• Molecular Formula: C16H11NO4
• Molecular Weight: 281.26
• SMILES: CC1=CC=CC=C1C(=O)ON2C(=O)C3=CC=CC=C3C2=O
• Topological: 63.7
• Monoisotopic Mass: 281.06880783
• Synonyms: SCHEMBL13479785, 404857-24-5, EN300-6513732, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methylbenzoate

Application

This compound serves as a key synthetic intermediate in the preparation of phthalimide derivatives with potential biological activity. Researchers may employ it in the development of novel small-molecule inhibitors or as a building block for functional materials. Its reactive ester group allows for further derivatization under mild conditions, making it useful for combinatorial chemistry applications. The methyl-substituted benzoate moiety may confer enhanced lipophilicity to resulting compounds.

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