Description

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 3-chlorobenzoate (CAS No. 63591-88-8) is a high-purity synthetic organic compound with the molecular formula C₁₅H₈ClNO₄. This specialized chemical features a phthalimide core esterified with a 3-chlorobenzoate moiety, offering unique reactivity for advanced organic synthesis and pharmaceutical research. The compound is supplied as a crystalline solid with >98% purity (HPLC), ideal for use as a building block in heterocyclic chemistry or as a precursor for drug discovery. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. Researchers should handle this material with appropriate PPE due to its potential sensitizing properties.

Properties

• CAS Number: 63591-88-8
• Complexity: 443
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 3-chlorobenzoate
• InChI: InChI=1S/C15H8ClNO4/c16-10-5-3-4-9(8-10)15(20)21-17-13(18)11-6-1-2-7-12(11)14(17)19/h1-8H
• InChI Key: PDEQJZIDCOABFF-UHFFFAOYSA-N
• Exact Mass: 301.0141854
• Molecular Formula: C15H8ClNO4
• Molecular Weight: 301.68
• SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CC(=CC=C3)Cl
• Topological: 63.7
• Monoisotopic Mass: 301.0141854
• Synonyms: 63591-88-8, EN300-6513658, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-chlorobenzoate

Application

This compound serves as a versatile intermediate in the synthesis of phthalimide-derived pharmaceuticals and agrochemicals. Its reactive ester group enables efficient coupling reactions for constructing complex heterocycles. Researchers utilize it in developing potential kinase inhibitors and antimicrobial agents. The chlorinated aromatic ring provides a handle for further functionalization via cross-coupling chemistry.

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