79399-37-4

Basic information

• Product Name: methyl 4-(tert-butylthio)benzoate
• Synonyms: methyl 4-(tert-butylthio)benzoate
• CAS NO: 79399-37-4
• Molecular Weight: 224.324
• Mol File: 79399-37-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: methyl 4-(tert-butylthio)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 4-(tert-butylthio)benzoate(79399-37-4)
• EPA Substance Registry System: methyl 4-(tert-butylthio)benzoate(79399-37-4)

Safety Data

• Hazardous Substances Data: 79399-37-4(Hazardous Substances Data)

Upstream product

• 619-44-3 methyl 4-iodobenzoate 
• 75-66-1 2-methylpropan-2-thiol 
• 6302-65-4 methyl 4-mercaptobenzoate 
• 84379-72-6 1,3-dioxoisoindolin-2-yl 3,3-dimethylbutanoate 
• 619-42-1 4-methoxycarbonylphenyl bromide 
• 29364-29-2 sodium tert-butyl thiolate 

Downstream Products

• 1346498-70-1 4-tert-butylsulfonylbenzoic acid 

Relevant articles and documents

Semiheterogeneous Dual Nickel/Photocatalytic (Thio)etherification Using Carbon Nitrides

A carbon nitride material can be combined with homogeneous nickel catalysts for light-mediated cross-couplings of aryl bromides with alcohols under mild conditions. The metal-free heterogeneous semiconductor is fully recyclable and couples a broad range of electron-poor aryl bromides with primary and secondary alcohols as well as water. The application for intramolecular reactions and the synthesis of active pharmaceutical ingredients was demonstrated. The catalytic protocol is applicable for the coupling of aryl iodides with thiols as well.

An environmentally-friendly one-pot synthesis of 4-sulfonyl benzoic acids

This Letter reports an environmentally-friendly one-pot SNAr reaction of thiols to 4-halobenzoic acid methyl esters to provide 4-substituted sulfone benzoic acids and picolinic acids after bleach-mediated oxidative workup. These acid intermediates were synthesized on gram scale, are perfect partners for library synthesis, and have good physical chemical properties useful for drug discovery.