Description

Dibutyl 2,2′-bipyridine-4,4′-dicarboxylate (CAS: 69641-93-6) is a high-purity organic compound with the molecular formula C₂₀H₂₄N₂O₄, widely utilized in coordination chemistry and materials science research. This bipyridine derivative features two ester-functionalized carboxylate groups, making it an excellent ligand for transition metal complexes, particularly in catalytic and photochemical applications. Its rigid bipyridine core ensures strong binding affinity, while the butyl ester groups enhance solubility in organic solvents. Ideal for synthesizing metal-organic frameworks (MOFs), supramolecular assemblies, and light-harvesting systems, this compound is supplied as a crystalline solid with ≥95% purity, verified by HPLC and NMR. Store in a cool, dry place away from light to maintain stability.

Properties

• CAS Number: 69641-93-6
• Complexity: 404
• IUPAC Name: butyl 2-(4-butoxycarbonyl-2-pyridyl)pyridine-4-carboxylate
• InChI: InChI=1S/C20H24N2O4/c1-3-5-11-25-19(23)15-7-9-21-17(13-15)18-14-16(8-10-22-18)20(24)26-12-6-4-2/h7-10,13-14H,3-6,11-12H2,1-2H3
• InChI Key: XJRBANJUKBOCLR-UHFFFAOYSA-N
• Exact Mass: 356.17360725
• Molecular Formula: C20H24N2O4
• Molecular Weight: 356.4
• SMILES: CCCCOC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)OCCCC
• Topological: 78.4
• Monoisotopic Mass: 356.17360725
• Synonyms: 69641-93-6, DIBUTYL 2,2′-BIPYRIDINE-4,4′-DICARBOXYLATE, Dibutyl [2,2′-bipyridine]-4,4′-dicarboxylate, 4,4′-Bis(butoxycarbonyl)-2,2′-bipyridine, Butyl 2-(4-butoxycarbonylpyridin-2-yl)pyridine-4-carboxylate, 4,4′-DIBUTYL [2,2′-BIPYRIDINE]-4,4′-DICARBOXYLATE, SCHEMBL17518778, [2,2′-Bipyridine]-4,4′-dicarboxylic acid, dibutyl ester, MFCD11042474, BS-49558, SY289801, CS-0161990, Dibutyl[2,2′-bipyridine]-4,4′-dicarboxylate, E76119, Dibutyl [2,2 inverted exclamation mark -Bipyridine]-4,4 inverted exclamation mark -dicarboxylate

Dibutyl 2,2′-bipyridine-4,4′-dicarboxylate is primarily used as a chelating ligand for transition metals in catalysis and photoelectrochemical studies. It facilitates the development of efficient dye-sensitized solar cells (DSSCs) due to its electron-accepting properties. Researchers also employ it in constructing luminescent MOFs for sensor applications. Its solubility in organic solvents makes it suitable for homogeneous catalytic systems.

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