524698-44-0

Basic information

• Product Name: Benzenesulfonic acid, 4-(1,1-dimethylethyl)-, 2,2-dimethyl-3-phenylpropyl ester
• CAS NO: 524698-44-0
• Molecular Formula: C21H28O3S
• Molecular Weight: 360.518
• Mol File: 524698-44-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzenesulfonic acid, 4-(1,1-dimethylethyl)-, 2,2-dimethyl-3-phenylpropyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonic acid, 4-(1,1-dimethylethyl)-, 2,2-dimethyl-3-phenylpropyl ester(524698-44-0)
• EPA Substance Registry System: Benzenesulfonic acid, 4-(1,1-dimethylethyl)-, 2,2-dimethyl-3-phenylpropyl ester(524698-44-0)

Safety Data

• Hazardous Substances Data: 524698-44-0(Hazardous Substances Data)

Upstream product

• 15084-51-2 4-tert-butylbenzenesulfonyl chloride 
• 13351-61-6 2,2-dimethyl-3-phenyl-1-propanol 

Downstream Products

• 98-51-1 4-tert-butyltoluene 
• 1625-92-9 4-tert-butylbiphenyl 

Relevant articles and documents

Nickel(0)-catalyzed cross-coupling of alkyl arenesulfonates with aryl Grignard reagents

The nickel-catalyzed cross-coupling reactions of neopentyl arenesulfonates with arylmagnesium bromides, involving nucleophilic aromatic substitution of alkyloxysulfonyl groups by aryl nucleophiles, take place in high yields. Optimal efficiencies are obtained by adding 3 + 2 equiv of the Grignard reagent to a mixture of dppfNiCl2 and the sulfonate in refluxing THF. Neopentyl arenesulfonates are useful sources of the electrophilic aryl groups in these transition metal-catalyzed cross-coupling reactions. Aryl sulfonates are inappropriate due to their ambident reactivity under the reaction conditions. This new cross-coupling reaction can be used for the creative elimination of alkyloxysulfonyl groups from aromatic compounds and for the preparation of unsymmetric terphenyls and oligophenyls.