ChemicalBook--->CAS DataBase List--->4433-01-6

4433-01-6

4433-01-6 Structure

4433-01-6 Structure
IdentificationBack Directory
[Name]

2,2'-Bipyridine-3,3'-dicarboxylic acid
[CAS]

4433-01-6
[Synonyms]

2,2'-Binicotinic Acid
2'-Bipyridyl-3,3'-dicarboxylic acid
2,2Bipyridyl-3,3'-dicarboxylic acid
2,2'-Bipyridine-3,3'-dicarboxylicAci
2,2'-Bipyridine-3,3'-dicarboxylic acid
3,3'-bis(hydroxycarbonyl)-2,2'-bipyridine
2-(3-carboxypyridin-2-yl)pyridine-3-carboxylic acid
Butanoic acid, 4-amino-4-(2,6-dioxocyclohexylidene)-
2,2'-Bipyridine-3,3'-dicarboxylic acid ISO 9001:2015 REACH
[EINECS(EC#)]

626-820-4
[Molecular Formula]

C12H8N2O4
[MDL Number]

MFCD00226068
[MOL File]

4433-01-6.mol
[Molecular Weight]

244.2
Chemical PropertiesBack Directory
[Melting point ]

261°C(dec.)(lit.)
[Boiling point ]

454.1±40.0 °C(Predicted)
[density ]

1.469±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[pka]

1.40±0.36(Predicted)
[color ]

White to Almost white
[InChI]

1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)
[InChIKey]

KNVZVRWMLMPTTJ-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cccnc1-c2ncccc2C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Definition]

ChEBI: 2-(3-carboxy-2-pyridinyl)-3-pyridinecarboxylic acid is a member of bipyridines.
[Synthesis]

2-Chloronicotinic acid

2942-59-8

2,2'-Bipyridine-3,3'-dicarboxylic acid

4433-01-6

Example 4: 9.50 g of 2-chloronicotinic acid and 5.30 g of sodium hydroxide were dissolved in a solvent mixture of 40 mL of water and 40 mL of methanol. After the addition of 4 g of palladium/activated carbon catalyst with 5% palladium loading, the reaction mixture was stirred at 80-85°C and 0.1 MPa for 30 hours. Upon completion of the reaction, the catalyst was removed by filtration. Subsequently, the filtrate was acidified to pH 1 with hydrochloric acid to precipitate the target product 2,2'-bipyridine-3,3'-dicarboxylic acid as a white solid. A final 3.5 g of product was obtained in 48% yield.

[References]

[1] Patent: US6500956, 2002, B1
Spectrum DetailBack Directory
[Spectrum Detail]

2,2'-Bipyridine-3,3'-dicarboxylic acid(4433-01-6)1HNMR
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