2,4-Dichloro-6-methylnicotinic acid

Base Information

• Chemical Name: 2,4-Dichloro-6-methylnicotinic acid
• CAS No.: 56022-07-2
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.03
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30356204
• Wikidata: Q82135437
• Mol file: 56022-07-2.mol

Synonyms:2,4-dichloro-6-methylnicotinic acid;56022-07-2;2,4-dichloro-6-methylpyridine-3-carboxylic acid;diphenhydraminehydrochloride;AO-801/41077478;SCHEMBL3227278;DTXSID30356204;CIVCELMLGDGMKZ-UHFFFAOYSA-N;AKOS016002608;AB13101;TS-01502;CS-0313980;C75632;2,4-dichloro-6- methylpyridine-3-carboxylic acid

Chemical Property of 2,4-Dichloro-6-methylnicotinic acid

Chemical Property:

• Boiling Point: 339.5 °C at 760 mmHg
• Flash Point: 159.1 °C
• PSA: 50.19000
• Density: 1.522 g/cm³
• LogP: 2.39500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dichloro-6-methylnicotinic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=N1)Cl)C(=O)O)Cl

Technology Process of 2,4-Dichloro-6-methylnicotinic acid

There total 2 articles about 2,4-Dichloro-6-methylnicotinic 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: 66.0%

ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate (86129-63-7) → 2,4-dichloro-6-methylnicotinic acid (56022-07-2)

Guidance literature:

ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate; With sodium hydroxide; In methanol; water; at 80 ℃; for 4h;

With sulfuric acid; In methanol; water;

Reference yield:

ethyl 2,4-dihydroxy-6-methylnicotinate (10350-10-4,70254-52-3,70254-53-4) → 2,4-dichloro-6-methylnicotinic acid (56022-07-2)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃ / 130 °C

2: aqueous KOH

With potassium hydroxide; trichlorophosphate;

Reference yield:

2,4-dichloro-6-methylnicotinic acid (56022-07-2) + para-fluorobenzylamine (140-75-0) → 2,4-dichloro-N-[(4-fluorophenyl)methyl]-6-methyl-3-pyridine-carboxamide (861895-62-7)

Guidance literature:

2,4-dichloro-6-methylnicotinic acid; With thionyl chloride; for 1.5h; Heating / reflux;

para-fluorobenzylamine; With triethylamine; In dichloromethane; at 20 ℃;

upstream raw materials:

ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate

ethyl 2,4-dihydroxy-6-methylnicotinate

Downstream raw materials:

2,4-dichloro-N-[(4-fluorophenyl)methyl]-6-methyl-3-pyridine-carboxamide

2,4-dichloro-6-methyl-3-pyridinecarbonitrile