2,6-Dichloro-5-fluoro-4-methylpyridine-3-carboxylic acid

Base Information

• Chemical Name: 2,6-Dichloro-5-fluoro-4-methylpyridine-3-carboxylic acid
• CAS No.: 132195-42-7
• Molecular Formula: C7H4Cl2FNO2
• Molecular Weight: 224.019
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID20568692
• Wikidata: Q72466260
• Mol file: 132195-42-7.mol

Synonyms:132195-42-7;2,6-dichloro-5-fluoro-4-methylnicotinic acid;2,6-DICHLORO-5-FLUORO-4-METHYLPYRIDINE-3-CARBOXYLIC ACID;2,6-Dichloro-4-methyl-5-fluoronicotinic acid;SCHEMBL2094993;DTXSID20568692;CACZOIOUVVFGLV-UHFFFAOYSA-N;AMY17557;MFCD11044318;AKOS027322654;DS-11989;2,6-dichloro-5-fluoro-4-methylnicotinicacid;CS-0136275;2, 6-dichloro-5-fluoro-4-methylnicotinic acid;C72300

Chemical Property of 2,6-Dichloro-5-fluoro-4-methylpyridine-3-carboxylic acid

Chemical Property:

• Boiling Point: 355℃
• PKA: 1.21±0.38(Predicted)
• Flash Point: 168℃
• PSA: 50.19000
• Density: 1.605
• LogP: 2.53410
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 222.9603119
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dichloro-5-fluoro-4-methylnicotinicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC(=C1F)Cl)Cl)C(=O)O

Technology Process of 2,6-Dichloro-5-fluoro-4-methylpyridine-3-carboxylic acid

There total 2 articles about 2,6-Dichloro-5-fluoro-4-methylpyridine-3-carboxylic 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:

2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid (82671-06-5) + methyl iodide (74-88-4) → 2,6-dichloro-5-fluoro-4-methylnicotinic Acid (132195-42-7) + 2,6-dichloro-4-ethyl-5-fluoronicotinic acid (132195-49-4)

Guidance literature:

2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid; With methyllithium; In tetrahydrofuran; diethyl ether; at -78 - -25 ℃; for 1.5h;

methyl iodide; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; for 21h;

Reference yield:

2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid (82671-06-5) + methyl iodide (74-88-4) → 2,6-dichloro-5-fluoro-4-methylnicotinic Acid (132195-42-7)

Guidance literature:

With methyllithium; Yield given. Multistep reaction; 1.) ether, THF, -30 deg C, 2 h, 2.) ether, THF, from -60 to 0 deg C, 2 h;

DOI:10.1021/jm00081a013

Reference yield:

2,6-dichloro-5-fluoro-4-methylnicotinic Acid (132195-42-7) → 7-chloro-6-fluoro-5-phenyl-1-(2,4-difluorophenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid ethyl ester (132195-59-6)

Guidance literature:

Multi-step reaction with 5 steps

1: PCl₅ / 0.13 h / 100 °C

2: 2.) p-TsOH*H₂O / 1.) ether, RT, 2 h, 2.) H₂O, reflux, 2.5 h

3: 94 percent / Ac₂O / 15 h / 130 °C

4: ethanol / 1 h / Ambient temperature

5: 91 percent / NaH / dioxane / 1 h / Ambient temperature

With phosphorus pentachloride; acetic anhydride; sodium hydride; toluene-4-sulfonic acid; In 1,4-dioxane; ethanol;

DOI:10.1021/jm00081a013

upstream raw materials:

2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid

methyl iodide

Downstream raw materials:

(Z)-2-(2,6-Dichloro-5-fluoro-4-methyl-pyridine-3-carbonyl)-3-(4-fluoro-phenylamino)-acrylic acid ethyl ester

7-chloro-6-fluoro-5-phenyl-1-(2,4-difluorophenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid ethyl ester

(Z)-2-(2,6-Dichloro-5-fluoro-4-methyl-pyridine-3-carbonyl)-3-(2,4-difluoro-phenylamino)-acrylic acid ethyl ester

7-((S)-3-Amino-pyrrolidin-1-yl)-6-fluoro-1-(4-fluoro-phenyl)-5-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester

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