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).

pka

2.27±0.10(Predicted)

form 

Solid:particulate/powder

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 Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

29339900

MSDS

• Language:English Provider:ALFA

5-Methylnicotinic acid Usage And Synthesis

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°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

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