68880-56-8

Basic information

• Product Name: 3,3-dimethylbutyl 4-methylbenzenesulfonate
• CAS NO: 68880-56-8
• Molecular Formula: C₁₃H₂₀O₃S
• Molecular Weight: 256.3611
• Mol File: 68880-56-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 353°C at 760 mmHg
• Flash Point: 167.3°C
• Density: 1.084g/cm³
• Vapor Pressure: 7.51E-05mmHg at 25°C
• Refractive Index: 1.501
• CAS DataBase Reference: 3,3-dimethylbutyl 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-dimethylbutyl 4-methylbenzenesulfonate(68880-56-8)
• EPA Substance Registry System: 3,3-dimethylbutyl 4-methylbenzenesulfonate(68880-56-8)

Safety Data

• Hazardous Substances Data: 68880-56-8(Hazardous Substances Data)

Upstream product

• 1070-83-3 tert-Butylacetic acid 
• 624-95-3 3,3-dimethylbutanol 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 153187-02-1 4,4-dimethylpentanoyl m-chlorobenzoyl peroxide 
• 1118-47-4 4,4-dimethylpentanoic acid 
• 446033-33-6 3,5-bis(3,3-dimethyl-1-butyloxy)benzaldehyde 
• 153742-13-3 dimethyl 2-(3,3-dimethyl butyl) malonate 
• 15673-05-9 4,4-dimethylvaleronitrile 

Relevant articles and documents

Remote Arylative Substitution of Alkenes Possessing an Acetoxy Group via β-Acetoxy Elimination

Palladium-catalyzed remote arylative substitution was achieved for the reaction of arylboronic acids with alkenes possessing a distant acetoxy group to provide arylation products having an alkene moiety at the remote position. The use of β-acetoxy elimination as a key step in the catalytic cycle allowed for regioselective formation of unstabilized alkenes after chain walking. This reaction was applicable to various arylboronic acids as well as alkene substrates.

Evidence for Electron Transfer, Radical and Ionic Pathways in the Decomposition of Diacyl Peroxide

The thermal decomposition mechanism of 4,4-dimethylpentanoyl m-chlorobenzoyl peroxide and its α- and β-dideuteriated analogues is described.Product analyses and CIDNP studies suggest that all three pathways, electron transfer, radical and ionic, are operative in decomposition of these peroxides.Two pulsed-NMR techniques have been employed to eliminate distortions of CIDNP intensities arising from spin-lattice relaxation.These quantitative CIDNP studies have revealed an additional pure ionic pathway which competes with the radical pair electron transfer pathway to form rearranged reaction products.