923942-34-1

Basic information

• Product Name: Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
• Synonyms: Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate;Methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylate;Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-Methylthiazole-5-carboxylate
• CAS NO: 923942-34-1
• Molecular Formula: C17H18N2O3S
• Molecular Weight: 330.40142
• EINECS: -0
• Mol File: 923942-34-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 486.8±55.0 °C(Predicted)
• Appearance: /
• Density: 1.24
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 0.95±0.10(Predicted)
• CAS DataBase Reference: Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate(923942-34-1)
• EPA Substance Registry System: Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate(923942-34-1)

Safety Data

• Hazardous Substances Data: 923942-34-1(Hazardous Substances Data)

Usage

Uses

Methyl 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylate is a 4-Methylthiazole-5-carboxylic Acid derivative as a potential inhibitor of mucin onco proteins for breast cancer therapy.Also, it is derived from Febuxostat (F229000), which is a xanthine oxidase/xanthine dehydrogenase inhibitor and used for treatment of hyperuricemia and chronic gout. 40-120 mg/day febuxostat was proven effective in lowering serum urate levels when administered to manage hyperuricemia in patients with gout.

Upstream product

• 221076-43-3 4-isobutoxybenzothioamide 
• 5203-15-6 4-(2-methylpropoxy)benzonitrile 
• 767-00-0 4-cyanophenol 
• 96-34-4 methyl chloroacetate 
• 163597-57-7 3-cyanoisobutoxybenzothioamide 
• 67-56-1 methanol 
• 144060-53-7 febuxostat 

Relevant articles and documents

Preparation method of febuxostat intermediate, and application thereof in preparation of febuxostat

The invention provides a preparation method of a compound of structural formula II. The method comprises the following steps: 1) reacting a compound of structural formula VII under the action of an alkylating agent and an alkali to obtain a compound of structural formula VI; 2) reacting the compound of structural formula VI to obtain a compound of structural formula V; 3) reacting the compound ofthe structural formula V with urotropine under an acidic condition in the absence of a solvent to obtain a compound of structural formula IV; 4) reacting the compound of the structural formula IV withhydroxylamine hydrochloride in the presence of an alkali, and dehydrating the obtained reaction product to obtain a compound of structural formula III; and 5) performing a ring closing reaction on the compound of the structural formula III and the compound of the structural formula VIII to obtain the compound of structural formula II. The invention also provides an application of the preparationmethod in the synthesis of febuxostat. The method has the advantages of simplicity in operation, high yield, few side reactions and no highly toxic substances, and is suitable for industrial production as a novel method for preparing the febuxostat intermediate. R in the formulas is a C1-C4 alkyl group.