4-Chloro-6-methylpyridine-2-carboxylic acid

Base Information

• Chemical Name: 4-Chloro-6-methylpyridine-2-carboxylic acid
• CAS No.: 30235-19-9
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.583
• Hs Code.: 2933399090
• European Community (EC) Number: 692-631-9
• DSSTox Substance ID: DTXSID70464675
• Nikkaji Number: J1.754.408J
• Wikidata: Q72454929
• Mol file: 30235-19-9.mol

Synonyms:4-CHLORO-6-METHYLPYRIDINE-2-CARBOXYLIC ACID;30235-19-9;4-Chloro-6-methylpicolinic acid;4-chloro-6-methyl-pyridine-2-carboxylic Acid;2-PYRIDINECARBOXYLIC ACID, 4-CHLORO-6-METHYL-;4-Chloro-6-methyl-picolinic acid;4-Chloro-6-methylpicolinicacid;4-CHLORO-6-METHYL-2-PYRIDINECARBOXYLIC ACID;SCHEMBL1421869;DTXSID70464675;PEJDNNLWNHKKKF-UHFFFAOYSA-N;AMY19179;MFCD07374951;AKOS006286809;AB40799;NF-0723;AC-25175;CS-0005503;FT-0684581;EN300-157840;A849352;J-515117

Chemical Property of 4-Chloro-6-methylpyridine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000344mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 306.1 °C at 760 mmHg
• PKA: 3.34±0.10(Predicted)
• Flash Point: 138.9 °C
• PSA: 50.19000
• Density: 1.39 g/cm³
• LogP: 1.74160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0087061
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-6-methylpyridine-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-6-methylpyridine-2-carboxylic acid

There total 5 articles about 4-Chloro-6-methylpyridine-2-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: 80.0%

6-methyl-4-nitropyridine-2-carboxylic acid (30235-16-6) → 4-chloro-6-methylpyridine-2-carboxylic acid (30235-19-9)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 2h;

DOI:10.1081/SCC-120004266

Reference yield:

2-methyl-4-nitropyridine N-oxide (5470-66-6) → 4-chloro-6-methylpyridine-2-carboxylic acid (30235-19-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: dimethyl sulfate / 1 h / 70 °C

1.2: 50 percent / H₂O / 0 - 20 °C

2.1: 90 percent sulfuric acid / H₂O / 2 h / 120 °C

2.2: 91 percent / sodium nitrite / H₂O / 2 h / 20 - 80 °C

3.1: 80 percent / 37 percent hydrochloric acid / 2 h / 100 °C

With hydrogenchloride; sulfuric acid; dimethyl sulfate; In water; 1.2: Reissert-Kaufmann reaction;

DOI:10.1081/SCC-120004266

Reference yield:

6-methyl-4-nitropyridine-2-carbonitrile (30235-12-2) → 4-chloro-6-methylpyridine-2-carboxylic acid (30235-19-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 90 percent sulfuric acid / H₂O / 2 h / 120 °C

1.2: 91 percent / sodium nitrite / H₂O / 2 h / 20 - 80 °C

2.1: 80 percent / 37 percent hydrochloric acid / 2 h / 100 °C

With hydrogenchloride; sulfuric acid; In water;

DOI:10.1081/SCC-120004266

upstream raw materials:

4-chloro-2,6-lutidine

6-methyl-4-nitropyridine-2-carboxylic acid

2-methyl-4-nitropyridine N-oxide

6-methyl-4-nitropyridine-2-carbonitrile

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