Description

(1,3-Dioxoisoindol-2-yl) 3-methylbenzoate (CAS No. 732258-83-2) is a high-purity organic compound with the molecular formula C₁₆H₁₁NO₄. This specialized chemical features a phthalimide core esterified with a 3-methylbenzoate group, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. The compound is supplied as a fine white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for demanding applications. With a molecular weight of 281.26 g/mol, it is soluble in common organic solvents such as DMSO, DMF, and dichloromethane, but exhibits limited solubility in water. Ideal for researchers exploring novel heterocyclic compounds, this product is rigorously tested by QC protocols including NMR, LC-MS, and elemental analysis. Store in a cool, dry place at 2-8°C under inert atmosphere to maintain stability.

Properties

• CAS Number: 732258-83-2
• Complexity: 437
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 3-methylbenzoate
• InChI: InChI=1S/C16H11NO4/c1-10-5-4-6-11(9-10)16(20)21-17-14(18)12-7-2-3-8-13(12)15(17)19/h2-9H,1H3
• InChI Key: QARWNZWXLPRKIM-UHFFFAOYSA-N
• Exact Mass: 281.06880783
• Molecular Formula: C16H11NO4
• Molecular Weight: 281.26
• SMILES: CC1=CC(=CC=C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
• Topological: 63.7
• Monoisotopic Mass: 281.06880783
• Synonyms: 2-{[(3-methylphenyl)carbonyl]oxy}-1H-isoindole-1,3(2H)-dione, 732258-83-2, (1,3-dioxoisoindol-2-yl) 3-methylbenzoate, STK028830, AKOS005380825, EN300-6513681, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-methylbenzoate

Application

This compound serves as a versatile building block in medicinal chemistry, particularly for the synthesis of isoindole-1,3-dione derivatives with potential biological activity. Researchers utilize it as a protected carboxylate equivalent in peptide mimetic design or as a precursor for fluorescent probes due to its conjugated system. The methylbenzoate moiety offers opportunities for further functionalization through electrophilic aromatic substitution reactions.

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