2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid

Base Information

• Chemical Name: 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
• CAS No.: 1239233-87-4
• Molecular Formula: C16H17NO5S
• Molecular Weight: 335.381
• Mol file: 1239233-87-4.mol

Synonyms:2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid;Febuxostat Dicarboxylic Acid Impurity;2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid

Chemical Property of 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid

Chemical Property:

• Boiling Point: 568.9±60.0 °C(Predicted)
• PKA: 1.21±0.37(Predicted)
• PSA: 124.96000
• Density: 1.327±0.06 g/cm3(Predicted)
• LogP: 3.54970
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

2-[3-Carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 2-[3-Carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid is an impurity of Febuxostat (F229000), an xanthine oxidase/ xanthine dehydrogenase inhibitor used for the treatment of hyperuricemia and chronic gout.

Technology Process of 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid

There total 2 articles about 2-[3-Carboxy-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic 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: 71.7%

febuxostat (144060-53-7) → 2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid (1239233-87-4)

Guidance literature:

With sodium hydroxide; In ethanol; at 60 ℃; for 10h;

DOI:10.1134/S0022476621100103

Reference yield:

2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester (160844-75-7) → 2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid (1239233-87-4)

Guidance literature:

2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester; With sodium hydroxide; In tetrahydrofuran; for 48h; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; pH=~ 3;

Reference yield: 96.0%

2-(3-carboxy-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid (1239233-87-4) → febuxostat (144060-53-7)

Guidance literature:

With sodium azide; trifluorormethanesulfonic acid; In water; acetonitrile; at 30 ℃; for 8h; Temperature; Reagent/catalyst; Solvent;

upstream raw materials:

2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

febuxostat

Downstream raw materials:

febuxostat