1239233-86-3

Basic information

• Product Name: 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
• Synonyms: 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid;Febuxostat Related CoMpound;2-(3-Carbamoyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid;Febuxostat Amide Impurity;Febuxostat Impurity D;Febuxostat Impurity 4
• CAS NO: 1239233-86-3
• Molecular Formula: C₁₆H₁₈N₂O₄S
• Molecular Weight: 334.39012
• Product Categories: Heterocycles, Impurities, Inhibitors, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 1239233-86-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 538.9±60.0 °C(Predicted)
• Appearance: /
• Density: 1.291±0.06 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 1.22±0.37(Predicted)
• CAS DataBase Reference: 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid(1239233-86-3)
• EPA Substance Registry System: 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid(1239233-86-3)

Safety Data

• Hazardous Substances Data: 1239233-86-3(Hazardous Substances Data)

Usage

Description

2-[3-(Aminocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid is a complex organic compound characterized by its unique molecular structure. It is an impurity found in Febuxostat (F229000), a pharmaceutical drug used for the treatment of hyperuricemia and chronic gout. 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid features a thiazolecarboxylic acid core with a methyl group and an aminocarbonyl-phenyl moiety, which includes a 2-methylpropoxy substituent. Its presence as an impurity highlights the need for careful synthesis and purification processes in the production of Febuxostat.

Uses

Used in Pharmaceutical Industry:
2-[3-(Aminocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid is used as an impurity in the synthesis of Febuxostat, which is a xanthine oxidase/xanthine dehydrogenase inhibitor. The application reason for this compound is that it is a byproduct in the manufacturing process of the drug used for treating hyperuricemia and chronic gout. The presence of this impurity necessitates stringent quality control measures to ensure the safety and efficacy of Febuxostat as a medication.
In the context of pharmaceutical development, understanding and managing impurities like 2-[3-(Aminocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid is crucial for maintaining the integrity and effectiveness of drugs. This organic compound serves as a reminder of the intricate chemical processes involved in drug synthesis and the importance of refining these processes to protect patients.

Upstream product

• 160844-75-7 2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester 

Downstream Products

• 144060-53-7 febuxostat 

Relevant articles and documents

HIGH-PURITY FEBUXOSTAT AND THE METHOD FOR PREPARATION

A febuxostat which purity is not less than 99.0%, method for preparation thereof, and pharmaceutical composition thereof. The method for preparation includes recrystallizing febuxostat in a mixed solvent. The said pharmaceutical composition can be used in