502610-58-4

Basic information

• Product Name: 1,4-Butanediol, 1-(3-methylphenyl)-
• CAS NO: 502610-58-4
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• Mol File: 502610-58-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,4-Butanediol, 1-(3-methylphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-Butanediol, 1-(3-methylphenyl)-(502610-58-4)
• EPA Substance Registry System: 1,4-Butanediol, 1-(3-methylphenyl)-(502610-58-4)

Safety Data

• Hazardous Substances Data: 502610-58-4(Hazardous Substances Data)

Upstream product

• 620-23-5 m-tolyl aldehyde 
• 24165-64-8 1-(3-methylphenyl)but-3-en-1-ol 

Downstream Products

• 117808-87-4 3-methylene-4-(3-methylphenyl)-4-oxobutanoic acid 
• 59618-44-9 4-(3-methylphenyl)-4-oxobutanoic acid 

Relevant articles and documents

A practical procedure for the synthesis of esonarimod, (R,S)-2-acetylthiomethyl-4-(4-methylphenyl)-4-oxobutanoic acid, an antirheumatic agent (part 1).

An efficient and practical procedure for the synthesis of esonarimod, (R,S)-2-acetylthiomethyl-4-(4-methylphenyl)-4-oxobutanoic acid (1), a new antirheumatic drug, has been developed. The intermediate, 2-methylene-4-(4-methylphenyl)-4-oxobutanoic acid (2), was prepared by Friedel-Crafts acylation of toluene with itaconic anhydride (3) in the presence of aluminum trichloride and nitrobenzene in 63% yield without silica gel column purification. Compound 1 was prepared by Michael addition of 2 with thioacetic acid (4) in 74% yield. Overall, 1 was obtained in 47% yield from 3. The structures and synthetic mechanisms of by-products (five compounds) of 2 were also clarified.