41480-07-3

Basic information

• Product Name: 3-methylphenyl benzenesulfonate
• Synonyms: Benzenesulfonic acid, m-tolyl ester
• CAS NO: 41480-07-3
• Molecular Formula: C₁₃H₁₂O₃S
• Molecular Weight: 248.2976
• Mol File: 41480-07-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 394.2°C at 760 mmHg
• Flash Point: 192.2°C
• Density: 1.245g/cm³
• Vapor Pressure: 4.59E-06mmHg at 25°C
• Refractive Index: 1.583
• CAS DataBase Reference: 3-methylphenyl benzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methylphenyl benzenesulfonate(41480-07-3)
• EPA Substance Registry System: 3-methylphenyl benzenesulfonate(41480-07-3)

Safety Data

• Hazardous Substances Data: 41480-07-3(Hazardous Substances Data)

Upstream product

• 108-39-4 3-methyl-phenol 
• 98-09-9 benzenesulfonyl chloride 

Downstream Products

• 100-83-4 meta-hydroxybenzaldehyde 
• 108-39-4 3-methyl-phenol 
• 620-22-4 3-Methylbenzonitrile 
• 97417-07-7 Benzenesulfonic acid 3-(N-ethyl-hydrazinomethyl)-phenyl ester 
• 95195-88-3 3-(N-Ethyl-hydrazinomethyl)-phenol 
• 93308-03-3 Benzenesulfonic acid 3-bromomethyl-phenyl ester 
• 13493-49-7 3-benzenesulfonyloxy-benzaldehyde 
• 94371-40-1 4-benzenesulfonyl-3-methyl-phenol 
• 105901-76-6 2-benzenesulfonyl-5-methyl-phenol 
• 28547-26-4 3-benzenesulfonyloxy-benzoic acid 

Relevant articles and documents

Deprotection of durable benzenesulfonyl protection for phenols — efficient synthesis of polyphenols

A robust protection method for phenol was demonstrated by the use of durable benzenesulfonyl group, which survives various harsh reaction conditions using Grignard reagent, organolithium reagent, metal alkoxide, phosgene, mineral, and Lewis acids. A facile deprotection condition utilizing pulverized KOH (5 equiv) and t-BuOH (10 equiv) in hot toluene makes this protocol as a practical method, which can be applied to the multistep synthesis of biologically and medicinally important polyphenol compounds.

KINETICS OF SULFONYLATION OF SUBSTITUTED PHENOLS IN THE PRESENCE OF TRIETHYLAMINE

The rate constants for the sulfonation of meta- and para-substituted phenols by benzenesulfonyl chloride in the presence of triethylamine in benzene were determined.The dependence of the rate constants on the Hammett ? constants has a V-shaped form.The effect of the leaving group was investigated, and the kinetic isotope effect was determined.The possibility of reaction by two catalytic paths (nucleophilic and general base catalysis) is discussed, and proposals were made about the reaction mechanism.