4,6-Dimethylnicotinic acid

Base Information

• Chemical Name: 4,6-Dimethylnicotinic acid
• CAS No.: 22047-86-5
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.16
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00355784
• Wikidata: Q72470962
• Mol file: 22047-86-5.mol

Synonyms:4,6-dimethylnicotinic acid;22047-86-5;4,6-dimethylpyridine-3-carboxylic acid;4,6-Dimethyl-nicotinic acid;4,6-DIMETHYLNICOTINICACID;3-Pyridinecarboxylicacid, 4,6-dimethyl-;4.6-Dimethylnicotinsaure;Oprea1_153950;AC-907/25004794;SCHEMBL1436086;DTXSID00355784;DNXREYUMWKSTJU-UHFFFAOYSA-N;MFCD00234424;AKOS000267384;AB05232;PS-5243;4,6-dimethylnicotinic acid, AldrichCPR;AC-23208;BB 0262066;CS-0153148;FT-0617267;EN300-108042;O11142;A815871;W-206719;4,6-Dimethylpyridine-3-carboxylic acid, 5-Carboxy-2,4-dimethylpyridine

Chemical Property of 4,6-Dimethylnicotinic acid

Chemical Property:

• Vapor Pressure: 0.000266mmHg at 25°C
• Melting Point: 193-194℃
• Refractive Index: 1.553
• Boiling Point: 310 °C at 760 mmHg
• PKA: 1.93±0.25(Predicted)
• Flash Point: 141.3 °C
• PSA: 50.19000
• Density: 1.183g/cm³
• LogP: 1.39660
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

4,6-Dimethylnicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1C(=O)O)C

Technology Process of 4,6-Dimethylnicotinic acid

There total 2 articles about 4,6-Dimethylnicotinic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-cyano-4,6-dimethylpyridine (6623-21-8) → 4,6-dimethylpyridine-3-carboxylic acid (22047-86-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9580003161

Reference yield:

→ 4,6-dimethylpyridine-3-carboxylic acid (22047-86-5)

Guidance literature:

3-Cyano-4,6-dimethylpyridin, NaOH;

Reference yield:

4,6-dimethylpyridine-3-carboxylic acid (22047-86-5) + 4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl] aniline (123066-64-8) → 4,6-dimethyl-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]nicotinanilide

Guidance literature:

4,6-dimethylpyridine-3-carboxylic acid; With oxalyl dichloride; In dichloromethane; at 0 - 20 ℃; for 1h;

4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl] aniline; In dichloromethane; at 20 ℃; for 18h;

upstream raw materials:

3-cyano-4,6-dimethylpyridine

Downstream raw materials:

ethyl 4,6-dimethylpyridine-3-carboxylate

4-methyl-6-(3-nitro-trans-styryl)-nicotinic acid

4,6-bis-(3-nitro-trans-styryl)-nicotinic acid

4-methyl-6-trans-styryl-nicotinic acid