5-Chloro-2-hydroxy-6-methylnicotinic acid

Base Information

• Chemical Name: 5-Chloro-2-hydroxy-6-methylnicotinic acid
• CAS No.: 117449-75-9
• Molecular Formula: C₇H₆ClNO₃
• Molecular Weight: 187.583
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20555885
• Wikidata: Q82437329
• Mol file: 117449-75-9.mol

Synonyms:117449-75-9;5-Chloro-2-hydroxy-6-methylnicotinic acid;5-CHLORO-2-HYDROXY-6-METHYLPYRIDINE-3-CARBOXYLIC ACID;5-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid;5-chloro-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 5-chloro-1,2-dihydro-6-methyl-2-oxo-;5-chloro-2-hydroxy-6-methyl-3-pyridinecarboxylic acid;SCHEMBL4698225;DTXSID20555885;HHWSFTFWHAQORS-UHFFFAOYSA-N;MFCD11044289;AKOS006307591;AKOS026719290;SB52805;5-Chloro-2-hydroxy-6-methylnicotinicacid;AS-41829;CS-0061369;F2185-0545

Chemical Property of 5-Chloro-2-hydroxy-6-methylnicotinic acid

Chemical Property:

• Melting Point: 291-294 °C
• Boiling Point: 341.8±42.0 °C(Predicted)
• PKA: 2.24±0.20(Predicted)
• PSA: 70.42000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 1.44720
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.0036207
• Heavy Atom Count: 12
• Complexity: 317

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Chloro-2-hydroxy-6-methylnicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Chloro-2-hydroxy-6-methylnicotinic acid

There total 2 articles about 5-Chloro-2-hydroxy-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: 49.0%

2-hydroxy-6-methylnicotinic acid (38116-61-9) → 5-chloro-2-hydroxy-6-methyl-3-pyridinecarboxylic acid (117449-75-9)

Guidance literature:

With sodium hydroxide; sodium hypochlorite; for 18h; Ambient temperature;

DOI:10.1021/jm00129a026

Reference yield:

2-hydroxy-6-methylnicotinic acid (38116-61-9) + aqueous sodium hypochlorite → 5-chloro-2-hydroxy-6-methyl-3-pyridinecarboxylic acid (117449-75-9)

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

methanol (67-56-1) + 5-chloro-2-hydroxy-6-methyl-3-pyridinecarboxylic acid (117449-75-9) → methyl 5-chloro-2-hydroxy-6-methylpyridine-3-carboxylate (934361-39-4)

Guidance literature:

methanol; 5-chloro-2-hydroxy-6-methyl-3-pyridinecarboxylic acid; With sulfuric acid; for 3.08h; Heating / reflux;

With sodium hydrogencarbonate; In dichloromethane; water; pH=7;

upstream raw materials:

2-hydroxy-6-methylnicotinic acid

Downstream raw materials:

methyl 5-chloro-2-hydroxy-6-methylpyridine-3-carboxylate