6-Methylnicotinic acid Chemical Properties

Melting point:

210-213 °C (lit.)

Boiling point:

251.96°C (rough estimate)

Density 

1.2528 (rough estimate)

refractive index 

1.5030 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

DMSO (Slightly), Methanol (Slightly)

form 

Powder, Crystals and/or Chunks

pka

2.37±0.10(Predicted)

color 

White to light yellow to beige

Water Solubility 

Sparingly soluble in water.

BRN 

112049

InChI

InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)

InChIKey

RZOKQIPOABEQAM-UHFFFAOYSA-N

SMILES

C1=NC(C)=CC=C1C(O)=O

CAS DataBase Reference

3222-47-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26-36

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29333990

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

6-Methylnicotinic acid Usage And Synthesis

Description

6-Methylnicotinic acid is a biochemical reagent that can be used as a pharmaceutical intermediate or raw material for organic synthesis. 6-Methylnicotinic acid is used as the starting material and 6-methylnicotine can be synthesized through four steps of esterification, condensation, ring-opening rearrangement, and reduction. As an alkaloid, 6-methylnicotine has similarities with nicotine, but slight changes in its molecular structure may lead to differences in its pharmacological effects and addictiveness. It may be used in products such as electronic cigarettes as a substitute or supplement for nicotine.

Chemical Properties

6-Methylnicotinic acid is a white to light yellow to light orange powder to crystals with a melting point of 210 °C. Store under inert gas at room temperature.

Uses

6-Methylnicotinic acid is an intermediate of the drug etoricoxib (a non- steroidal anti-inflammatory drug for the treatment of arthritis and osteoarthritis). It is also used as organic intermediates.

Uses

A degradation product of Nicotinic acid (N429250). An impurity of Nicotinic acid.

General Description

The co-ordination complex of the formula [Ni(L1)₂(H₂O)₄].4H₂O where L1H = 6-methylpyridine-3-carboxylic acid was structurally charaterized using X-ray single crystal analysis.

Synthesis

6-Methylnicotinic acid is prepared by selective oxidation of 2-methyl-5-alkylpyridine, wherein the alkyl group has 2 to 8 carbon atoms, using nitric acid at a concentration of 70 to 100 weight percent HNO3, wherein 6 to 15 moles of NHO3 are used per mole of pyridine, and the reaction is carried out at a temperature range of 250 to 325*F. The reaction time is 10 to 60 minutes, and superatmospheric pressure is used to effectively maintain the reactants in the liquid phase, and 6-methylnicotinic acid is recovered from the resulting reaction mixture.

6-Methylnicotinic acid(3222-47-7)Related Product Information

• Methyl 6-methylnicotinate
• 2,5-PYRIDINEDICARBOXYLIC ACID
• N,N-Dimethylpropionamide
• 2,2-Dimethylbutyryl chloride
• 2-Phenylbutyric acid
• Etoricoxib
• Etoricoxib Impurity 15
• (Z)-1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone oxime
• Etoricoxib Impurity 7
• Etoricoxib Impurity 39
• Etoricoxib Impurity M
• 2-Chloro-1,3-bis(dimentylamino)trimethinium hexafluorophosphate
• Etoricoxib impurity Q
• 4-(methylsulfinyl)benzeneacetic acid
• Etoricoxib Impurity 8
• Etoricoxib Impurity 13
• 4-Methylthiophenylacetic acid
• 1-(6-Methylpyridin-3-yl)-2-(4-(Methylthio)phenyl)ethanone