6-Cyanopyridine-2-carboxylic acid Chemical Properties

Boiling point:

376.9±27.0 °C(Predicted)

Density 

1.42±0.1 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 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 Information

HS Code 

2933399990

6-Cyanopyridine-2-carboxylic acid Usage And Synthesis

Synthesis

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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