Description

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4-dichlorobenzoate (CAS No. 404364-25-6) is a high-purity synthetic organic compound with the molecular formula C₁₅H₇Cl₂NO₄. This specialized chemical features a unique isoindole-1,3-dione (phthalimide) core esterified with a 3,4-dichlorobenzoate moiety, offering versatile reactivity for advanced organic synthesis and pharmaceutical research. With a molecular weight of 336.13 g/mol, this compound is supplied as a crystalline solid with >95% purity (HPLC), ideal for precision applications. Its structural complexity makes it valuable as a building block in medicinal chemistry, particularly for developing protease inhibitors or kinase modulators. Strict quality control ensures batch-to-batch consistency, with NMR, LC-MS, and elemental analysis documentation provided. Store in amber vials at 2-8°C under inert atmosphere to maintain stability.

Properties

• CAS Number: 404364-25-6
• Complexity: 474
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) 3,4-dichlorobenzoate
• InChI: InChI=1S/C15H7Cl2NO4/c16-11-6-5-8(7-12(11)17)15(21)22-18-13(19)9-3-1-2-4-10(9)14(18)20/h1-7H
• InChI Key: AWUCSAVATCMBBV-UHFFFAOYSA-N
• Exact Mass: 334.9752131
• Molecular Formula: C15H7Cl2NO4
• Molecular Weight: 336.1
• SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CC(=C(C=C3)Cl)Cl
• Topological: 63.7
• Monoisotopic Mass: 334.9752131
• Synonyms: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4-dichlorobenzoate, AKOS003244000, 404364-25-6, EN300-6514252

Application

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical research targeting enzyme inhibition. The phthalimide group enables facile N-functionalization for drug discovery, while the dichlorobenzoate moiety provides electron-withdrawing character for electrophilic reactions. Researchers utilize it in developing potential anticancer and antimicrobial agents due to its ability to interact with biological nucleophiles. Its dual-reactive sites make it valuable for constructing heterocyclic scaffolds in medicinal chemistry programs.

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