ChemicalBook--->CAS DataBase List--->872602-74-9

872602-74-9

872602-74-9 Structure

872602-74-9 Structure
IdentificationBack Directory
[Name]

6-Cyanopyridine-2-carboxylic acid
[CAS]

872602-74-9
[Synonyms]

6-cyanopicolinic acid
6-Cyanopyridine-2-carboxylic acid
6-cyano-2-Pyridinecarboxylic acid
2-Pyridinecarboxylic acid, 6-cyano-
[Molecular Formula]

C7H4N2O2
[MDL Number]

MFCD10574696
[MOL File]

872602-74-9.mol
[Molecular Weight]

148.12
Chemical PropertiesBack Directory
[Boiling point ]

376.9±27.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

3.08±0.10(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C7H4N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,(H,10,11)
[InChIKey]

NDFGHOYJWGPBEH-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=NC(C#N)=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS06
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H315-H319-H335
[Precautionary statements ]

P260-P301+P310-P280
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

6-Cyanopyridine-2-carboxylic acid(872602-74-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Pyridinecarboxylicacid,6-(aminocarbonyl)-(9CI)

97310-93-5

6-Cyanopyridine-2-carboxylic acid

872602-74-9

6-Carbamoylpyridine-2-carboxylic acid (compound G1) (500 mg, 3 mmol) was mixed with phosphoryl chloride (POCl3) (15 mL) and heated to reflux temperature for 2 hours. After completion of the reaction, the reaction mixture was processed according to conventional methods, and the resulting crude product could be used for subsequent reactions without further purification. Yield: 280 mg (63%), melting point: 180-181 °C.

[References]

[1] Patent: WO2006/589, 2006, A1. Location in patent: Page/Page column 57-58
[2] Patent: EP2533783, 2015, B1. Location in patent: Paragraph 0451-0452
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