345958-72-7

Basic information

• Product Name: Phenol, 4-(trifluoromethyl)-, 4-methylbenzenesulfonate
• CAS NO: 345958-72-7
• Molecular Formula: C14H11F3O3S
• Molecular Weight: 316.301
• Mol File: 345958-72-7.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: Phenol, 4-(trifluoromethyl)-, 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 4-(trifluoromethyl)-, 4-methylbenzenesulfonate(345958-72-7)
• EPA Substance Registry System: Phenol, 4-(trifluoromethyl)-, 4-methylbenzenesulfonate(345958-72-7)

Safety Data

• Hazardous Substances Data: 345958-72-7(Hazardous Substances Data)

Upstream product

• 104-15-4 toluene-4-sulfonic acid 
• 402-45-9 4-hydroxybenzotrifluoride 
• 4124-41-8 p-toluenesulfonylanhydride 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 53451-93-7 1-(trifluoromethyl)-4-(phenylsulfonyl)benzene 
• 1255695-22-7 N-methyl-N-(4-(trifluoromethyl)benzyl)benzenamine 
• 402-45-9 4-hydroxybenzotrifluoride 
• 657-84-1 sodium tosylate 
• 581-80-6 4,4'-bis(trifluoromethyl)biphenyl 
• 728-86-9 phenyl[4-(trifluoromethyl)phenyl]methanone 
• 370-99-0 4-trifluoromethyldiphenylethyne 
• 40474-01-9 1-methoxy-4-((4-(trifluoromethyl)phenyl)ethynyl)benzene 
• 214360-65-3 4-trifluoromethylphenylboronic acid pinacol ester 
• 16212-08-1 1-methyl-4-[(E)-2-phenylethenesulfonyl]benzene 

Relevant articles and documents

Identification of organophosphorus simulants for the development of next-generation detection technologies

Organophosphorus (OP) chemical warfare agents (CWAs) represent an ongoing threat but the understandable widespread prohibition of their use places limitations on the development of technologies to counter the effects of any OP CWA release. Herein, we describe new, accessible methods for the identification of appropriate molecular simulants to mimic the hydrogen bond accepting capacity of the PO moiety, common to every member of this class of CWAs. Using the predictive methodologies developed herein, we have identified OP CWA hydrogen bond acceptor simulants for soman and sarin. It is hoped that the effective use of these physical property specific simulants will aid future countermeasure developments.

Copper-Catalyzed Regioselective C-H Sulfonyloxylation of Electron-Rich Arenes with p-Toluenesulfonic Acid and Sulfonyloxylation of Aryl(mesityl)iodonium Sulfonates

Copper-catalyzed regioselective C-H sulfonyloxylation of electron-rich arenes with p-toluenesulfonic acid has been developed. Electron-rich benzene derivatives and heteroarenes can undergo this C-H sulfonyloxylation reaction to generate aryl tosylates. Furthermore, sulfonyloxylation of aryl(mesityl)iodonium sulfonates has also been investigated. Both aryl(mesityl)iodonium tosylates and triflates can react smoothly to get aryl sulfonates. The formed aryl sulfonates can be converted to phenols, as well as used as good partners of cross-coupling reactions.

Oxidative Addition of Aryl Electrophiles to a Prototypical Nickel(0) Complex: Mechanism and Structure/Reactivity Relationships

Detailed kinetic studies of the reaction of a model Ni0 complex with a range of aryl electrophiles have been conducted. The reactions proceed via a fast ligand exchange pre-equilibrium, followed by oxidative addition to produce either [NiIX(dppf)] (and biaryl) or [NiII(Ar)X(dppf)]; the ortho substituent of the aryl halide determines selectivity between these possibilities. A reactivity scale is presented in which a range of substrates is quantitatively ranked in order of the rate at which they undergo oxidative addition. The rate of oxidative addition is loosely correlated to conversion in prototypical cross-coupling reactions. Substrates that lead to NiI products in kinetic experiments produce more homocoupling products under catalytic conditions.