221076-43-3

Basic information

• Product Name: 4-isobutoxybenzothioamide
• Synonyms: 4-isobutoxybenzothioamide
• CAS NO: 221076-43-3
• Molecular Weight: 209.312
• Mol File: 221076-43-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-isobutoxybenzothioamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-isobutoxybenzothioamide(221076-43-3)
• EPA Substance Registry System: 4-isobutoxybenzothioamide(221076-43-3)

Safety Data

• Hazardous Substances Data: 221076-43-3(Hazardous Substances Data)

Upstream product

• 767-00-0 4-cyanophenol 
• 5203-15-6 4-(2-methylpropoxy)benzonitrile 
• 62-55-5 thioacetamide 

Downstream Products

• 160844-75-7 2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester 
• 923942-34-1 methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate 
• 1139901-88-4 tert-butyl 2-(3’-cyano-4’-isobutoxyphenyl)-4-methylthiazole-5-carboxylate 
• 163597-57-7 3-cyanoisobutoxybenzothioamide 
• 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.