| Identification | Back Directory | [Name]
2,6-DIMETHYLISONICOTINIC ACID | [CAS]
54221-93-1 | [Synonyms]
IFLAB-BB F1371-0184
2,6-Dimethylisonicotinicaci
2,6-DIMETHYLISONICOTINIC ACID
2,6-DIMETHYLPYRIDINE-4-CARBOXYLIC ACID
2,6-Dimethyl-4-pyridinecarboxylic acid
2,6-dimethylpryridine-4-carboxylic acid
4-Pyridinecarboxylic acid, 2,6-dimethyl-
4-Pyridinecarboxylicacid,2,6-dimethyl-(9CI)
2,6-dimethylisonicotinic acid(SALTDATA: FREE)
2,6-Dimethylpyridine-4-carboxylic acid, 4-Carboxy-2,6-dimethylpyridine | [Molecular Formula]
C8H9NO2 | [MDL Number]
MFCD03731176 | [MOL File]
54221-93-1.mol | [Molecular Weight]
151.16 |
| Chemical Properties | Back Directory | [Melting point ]
281 °C | [Boiling point ]
353.1±37.0 °C(Predicted) | [density ]
1.183±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder | [pka]
2.09±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4H,1-2H3,(H,10,11) | [InChIKey]
JRJLLMLYUFAZOM-UHFFFAOYSA-N | [SMILES]
C1(C)=NC(C)=CC(C(O)=O)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
white solid | [Synthesis]
Synthesis of 2,6-dimethylisonicotinic acid: A mixture of 4-cyano-2,6-dimethylpyridine (0.5 g, 3.78 mmol), sodium hydroxide (2.5 M, 3 ml) and ethanol (3 ml) was reacted at 100 °C for 5 hours. After cooling to room temperature, the solution was concentrated under vacuum and acidified to pH 3 with 10% hydrochloric acid. After evaporation to dryness, 2,6-dimethylisonicotinic acid was obtained[1]. | [References]
[1] Sophie Laurent. (2014). Bifunctional Gd(III) and Tb(III) chelates based on a pyridine–bis(iminodiacetate) platform, suitable optical probes and contrast agents for magnetic resonance imaging. Contrast Media & Molecular Imaging, 9 4, 300–312. https://doi.org/10.1002/cmmi.1576 |
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