| Identification | More | [Name]
5-Methylnicotinic acid | [CAS]
3222-49-9 | [Synonyms]
5-METHYLNICOTINIC ACID
5-METHYLPYRIDINE-3-CARBOXYLIC ACID
5-METHYPYRIDINE-3-CARBOXYLIC ACID
RARECHEM AL BO 2392
5-Methylnicotinicacid,97%
5-METHYL-3-PYRIDINECARBOXYLICACID | [EINECS(EC#)]
608-720-2 | [Molecular Formula]
C7H7NO2 | [MDL Number]
MFCD00829036 | [Molecular Weight]
137.14 | [MOL File]
3222-49-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
210-212°C | [Boiling point ]
303.9±22.0 °C(Predicted) | [density ]
1.230±0.06 g/cm3(Predicted) | [vapor pressure ]
0.328Pa at 25℃ | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Sparingly soluble (0.083 g/L at 25°C). | [form ]
Solid:particulate/powder | [pka]
2.27±0.10(Predicted) | [Appearance]
White to off-white Solid | [BRN ]
112288 | [InChI]
InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10) | [InChIKey]
DJDHHXDFKSLEQY-UHFFFAOYSA-N | [SMILES]
C1=NC=C(C)C=C1C(O)=O | [LogP]
1.23 | [CAS DataBase Reference]
3222-49-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Solid | [Uses]
5-Methylnicotinic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. | [Synthesis]
5-Methylnicotinic acid can be prepared by a one-step reaction under the condition of aqueous solvent, using 3,5-dimethylpyridine as the starting material and potassium permanganate as the oxidising agent, and reacted under mild conditions. The specific preparation method is as follows:
A, to 1200L running water is added in 2000L enamel reaction stills, then squeeze into 3,5- lutidines 120kg, stir, Between 25-35 DEG C of temperature control, and 300kg potassium permanganate is added with 4.5h, be then incubated 30 DEG C of reaction 16h；
B, filter core filter by-product manganese dioxide, and filtrate adjusts pH0.5 with concentrated hydrochloric acid；
C, centrifugation filter by-product 3, and 5- pyridinedicarboxylic acids, filtrate continuation adjusts PH3.0, crude product is collected by centrifugation with concentrated hydrochloric acid；
D, drying, crude product 1200L ethanol are heated to 80 DEG C of dissolvings, heat filtering, and filtrate is cooled to 0-5 DEG C of stirring 2h, from The heart, in drying 8.5h at 65 DEG C, you can.The purity of final product is 99.5%.
| [References]
[1] Patent: US2009/54395, 2009, A1. Location in patent: Page/Page column 42
[2] Patent: EP1193265, 2002, A2. Location in patent: Page 72
[3] Journal of Medicinal Chemistry, 1994, vol. 37, # 17, p. 2697 - 2703
[4] Journal of Chemical Research, Miniprint, 1987, # 9, p. 2360 - 2384 |
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