Description

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl pyridine-3-carboxylate (CAS: 106047-83-0) is a high-purity heterocyclic organic compound with the molecular formula C₁₄H₈N₂O₄. This specialized chemical features a unique structural combination of an isoindole-1,3-dione (phthalimide) scaffold linked to a nicotinate ester, offering versatile reactivity for advanced synthetic applications. With a molecular weight of 268.23 g/mol, this compound is supplied as a crystalline solid with >95% purity (HPLC) and is ideal for pharmaceutical intermediates, materials science research, and coordination chemistry studies. The product undergoes rigorous QC testing including NMR, LC-MS, and elemental analysis to ensure batch-to-batch consistency. Store under inert atmosphere at 2-8°C for optimal stability.

Properties

• CAS Number: 106047-83-0
• Complexity: 413
• IUPAC Name: (1,3-dioxoisoindolin-2-yl) pyridine-3-carboxylate
• InChI: InChI=1S/C14H8N2O4/c17-12-10-5-1-2-6-11(10)13(18)16(12)20-14(19)9-4-3-7-15-8-9/h1-8H
• InChI Key: KTRLESPFHQCRBX-UHFFFAOYSA-N
• Exact Mass: 268.04840674
• Molecular Formula: C14H8N2O4
• Molecular Weight: 268.22
• SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CN=CC=C3
• Topological: 76.6
• Monoisotopic Mass: 268.04840674
• Synonyms: SCHEMBL10572715, EN300-6513357, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl pyridine-3-carboxylate, 106047-83-0

Application

This compound serves as a key building block in the synthesis of novel phthalimide-based drug candidates, particularly for kinase inhibition studies. The pyridine-3-carboxylate moiety enables metal coordination for catalytic applications in cross-coupling reactions. Researchers utilize it as a precursor for developing fluorescent probes due to its conjugated electron system. In materials science, it finds use in constructing supramolecular architectures through hydrogen bonding interactions.

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