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5-Methylnicotinic acid

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5-Methylnicotinic acid manufacturers

5-Methylnicotinic acid Basic information
Product Name:5-Methylnicotinic acid
Synonyms:5-METHYLNICOTINIC ACID;5-METHYPYRIDINE-3-CARBOXYLIC ACID;5-METHYLPYRIDINE-3-CARBOXYLIC ACID;RARECHEM AL BO 2392;5-Methylnicotinicacid,97%;5-METHYL-3-PYRIDINECARBOXYLICACID;5-Methylnicotinic acid, tech;5-Methylnicotic acid
CAS:3222-49-9
MF:C7H7NO2
MW:137.14
EINECS:608-720-2
Product Categories:Building Blocks;Pyridine;Pyridines;pharmacetical;Nitrogen cyclic compounds;Pyridine Series;bc0001;3222-49-9
Mol File:3222-49-9.mol
5-Methylnicotinic acid Structure
5-Methylnicotinic acid Chemical Properties
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).
pka2.27±0.10(Predicted)
form Solid:particulate/powder
AppearanceWhite to off-white Solid
BRN 112288
InChIInChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
InChIKeyDJDHHXDFKSLEQY-UHFFFAOYSA-N
SMILESC1=NC=C(C)C=C1C(O)=O
LogP1.23
CAS DataBase Reference3222-49-9(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
Hazard Note Irritant
HS Code 29339900
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
ALFA English
5-Methylnicotinic acid Usage And Synthesis
Chemical PropertiesSolid
Uses5-Methylnicotinic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
Synthesis5-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°C of temperature control, and 300kg potassium permanganate is added with 4.5h, be then incubated 30°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°C of dissolvings, heat filtering, and filtrate is cooled to 0-5°C of stirring 2h, from The heart, in drying 8.5h at 65°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
5-Methylnicotinic acid Preparation Products And Raw materials
Raw materials3,5-Lutidine-->Potassium permanganate
Preparation ProductsMethyl 5-methylnicotinate
Tag:5-Methylnicotinic acid(3222-49-9) Related Product Information
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