Identification | Back 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 Properties | Back 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 |
Hazard Information | Back Directory | [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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