117687-58-8

Basic information

• Product Name: ethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
• Synonyms: ethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate
• CAS NO: 117687-58-8
• Molecular Formula: C₁₇H₁₈O₄S
• Molecular Weight: 318.38742
• Mol File: 117687-58-8.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: ethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate(117687-58-8)
• EPA Substance Registry System: ethyl 4-{[(4-methylphenyl)sulfonyl]methyl}benzoate(117687-58-8)

Safety Data

• Hazardous Substances Data: 117687-58-8(Hazardous Substances Data)

Upstream product

• 5798-75-4 Ethyl 4-bromobenzoate 
• 3185-99-7 Methyl p-tolyl sulfone 
• 64-17-5 ethanol 
• 110046-36-1 4-<(4'-Tolylsulfonyl)methyl>benzoic acid 

Relevant articles and documents

Palladium Catalyzed Monoselective α-Arylation of Sulfones and Sulfonamides with 2,2,6,6-Tetramethylpiperidine·ZnCl·LiCl Base and Aryl Bromides

A palladium catalyzed Negishi-type α-arylation of sulfones and sulfonamides with a broad range of aryl bromides has been developed. The substrates are selectively metalated in situ with tmp·ZnCl·LiCl base (tmp: 2,2,6,6-tetramethylpiperidine) and cross-coupled in the presence of a catalyst system that is generated from Pd(dba)2 and XPhos. Electron-deficient, electron-rich, and heterocyclic aryl bromides have been successfully cross-coupled, and sensitive functional groups are well tolerated. Simple aryl bromides are converted overnight at 60 °C in THF while heteroaryl bromides are efficiently coupled within 2 h at 130 °C in a microwave reactor. The desired monoarylated α-branched benzyl sulfones and sulfonamides were obtained in good yields, and overarylation was not detected. The procedure is ideal for late stage functionalization in parallel medicinal chemistry.