31197-50-9

Basic information

• Product Name: S-(4-tert-butylphenyl) 4-tert-butylbenzenesulfonothioate
• Synonyms: benzenesulfonothioic acid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester
• CAS NO: 31197-50-9
• Molecular Formula: C₂₀H₂₆O₂S₂
• Molecular Weight: 362.5492
• Mol File: 31197-50-9.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 472.8°C at 760 mmHg
• Flash Point: 239.7°C
• Density: 1.15g/cm³
• Vapor Pressure: 1.18E-08mmHg at 25°C
• Refractive Index: 1.585
• CAS DataBase Reference: S-(4-tert-butylphenyl) 4-tert-butylbenzenesulfonothioate(CAS DataBase Reference)
• NIST Chemistry Reference: S-(4-tert-butylphenyl) 4-tert-butylbenzenesulfonothioate(31197-50-9)
• EPA Substance Registry System: S-(4-tert-butylphenyl) 4-tert-butylbenzenesulfonothioate(31197-50-9)

Safety Data

• Hazardous Substances Data: 31197-50-9(Hazardous Substances Data)

Upstream product

• 15084-51-2 4-tert-butylbenzenesulfonyl chloride 
• 7605-48-3 bis(4-tert-butylphenyl)disulfide 
• 2396-68-1 4-t-butylbenzenethiol 
• 20277-69-4 sodium methansulfinate 
• 65604-75-3 4-(tert-butyl)benzenesulfonyl hydrazide 

Downstream Products

• 80783-57-9 1-tert-butyl-4-[(trifluoromethyl)sulfanyl]benzene 

Relevant articles and documents

Synthesis of Symmetrical Thiosulfonates via Cu(OTf)2-Catalyzed Reductive Homocoupling of Arenesulfonyl Chlorides

A variety of symmetrical thiosulfonates are synthesized via Cu-catalyzed reductive homocoupling of aryl sulfonyl chlorides. This protocol uses organic amine acting as a mild reductant and low-cost copper as an effective catalyst. Such a reductive coupling process features a broad substrate scope and good functional group tolerance. Related thiosulfonate products can also be converted into diverse functional molecules.

Direct conversion of sulfinamides to thiosulfonates without the use of additional redox agents under metal-free conditions

Direct conversion of sulfinamides to thiosulfonates is described. Without the use of additional redox agents, the reaction proceeds smoothly in the presence of TFA under metal-free conditions. This protocol possesses many advantages such as odourless and stable starting materials, broad substrate scope, selective synthesis, and mild reaction conditions. This journal is

Perfluoroalkylation of Thiosulfonates: Synthesis of Perfluoroalkyl Sulfides

A practical synthesis of perfluoroalkyl sulfides is described. The method employs stable and readily accessible thiosulfonates as new electrophiles with commercial nucleophilic perfluoroalkylating reagents. The mild reaction conditions allow access to a wide variety of both aryl- and alkyl-substituted perfluoroalkyl sulfides amenable to pharmaceutical development. Furthermore, the reaction operation is straightforward, odorless, does not produce toxic wastes, and, therefore should appeal to practitioners in industrial-scale productions.