4455-09-8

Basic information

• Product Name: PENTAFLUOROBENZYL P-TOLUENESULFONATE
• Synonyms: 2-Phenylethyltosylate;4-methylbenzenesulfonic acid 2-phenylethyl ester;2-Phenylethyl p-Toluenesulfonate p-Toluenesulfonic Acid Phenethyl Ester p-Toluenesulfonic Acid 2-Phenylethyl Ester;Phenethyl p-Toluenesulfonate;2-PHENYLETHYL P-TOLUENESULFONATE;TIMTEC-BB SBB006308;PHENETHYL P-TOLUENESULFONATE;PFB-TOSYLATE
• CAS NO: 4455-09-8
• Molecular Formula: C₁₅H₁₆O₃S
• Molecular Weight: 276.35
• Mol File: 4455-09-8.mol
• Article Data: 36

Chemical Properties

• Melting Point: 78 °C
• Boiling Point: 428.7°Cat760mmHg
• Flash Point: 213.1°C
• Appearance: /
• Density: 1.196g/cm³
• Vapor Pressure: 3.71E-07mmHg at 25°C
• Refractive Index: 1.57
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: PENTAFLUOROBENZYL P-TOLUENESULFONATE(CAS DataBase Reference)
• NIST Chemistry Reference: PENTAFLUOROBENZYL P-TOLUENESULFONATE(4455-09-8)
• EPA Substance Registry System: PENTAFLUOROBENZYL P-TOLUENESULFONATE(4455-09-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 4455-09-8(Hazardous Substances Data)

Usage

General Description

Pentafluorobenzyl p-toluenesulfonate is a chemical compound with the molecular formula C14H11F5O3S. It is a derivative of p-toluenesulfonic acid and is commonly used as a reagent in organic synthesis. Pentafluorobenzyl p-toluenesulfonate is a powerful and selective reagent for the conversion of alcohols to their corresponding pentafluorobenzyl ethers. PENTAFLUOROBENZYL P-TOLUENESULFONATE is also utilized in the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. It is important to handle pentafluorobenzyl p-toluenesulfonate with caution as it is toxic and should be used in a well-ventilated area.

InChI:InChI=1/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3

Upstream product

• 60-12-8 2-phenylethanol 
• 98-59-9 p-toluenesulfonyl chloride 
• 104-15-4 toluene-4-sulfonic acid 
• 824-79-3 sodium 4-methylbenzenesulfinate 
• 14629-58-4 trimethyl(phenethyloxy)silane 
• 455-16-3 p-toluenesulfonyl fluoride 
• 103-82-2 phenylacetic acid 
• 101-41-7 benzeneacetic acid methyl ester 

Downstream Products

• 40515-89-7 2-phenethoxybenzene 
• 130669-99-7 2-Phenethyl-1,2,5-thiadiazolidine-3,4-dione 1,1-dioxide sodium salt 
• 84567-61-3 N-ethyl-N'-(3-phenethyldimethylammoniopropyl)urea toluene-4-sulphonate 
• 107941-97-9 N-2-phenethyl-O-tert-butyltyrosylglycylglycylphenylalanylleucine methyl ester 
• 107941-94-6 N,N-di-2-phenethyl-O-tert-butyltyrosylglycylglycylphenylalanylleucine methyl ester 
• 100-42-5 styrene 
• 60-12-8 2-phenylethanol 
• 458-87-7 1-fluoro-2-phenylethane 
• 100-41-4 ethylbenzene 
• 6926-44-9 phenethyl azide 
• 39835-32-0 phenethyl nitrate 
• 1739-02-2 N-(4-methylphenyl)-N-(2-phenylethyl)amine 
• 104-15-4 toluene-4-sulfonic acid 
• 1739-04-4 N-(4-chlorophenyl)-N-(2-phenylethyl)amine 

Relevant articles and documents

Rational design of superoxide dismutase (sod) mimics: The evaluation of the therapeutic potential of new cationic Mn porphyrins with linear and cyclic substituents

Our goal herein has been to gain further insight into the parameters which control porphyrin therapeutic potential. Mn porphyrins (MnTnOct-2-PyP5+, MnTnHexOE-2-PyP5+, MnTE-2-PyPhP5+, and MnTPhE-2-PyP5+) that bea

Preparation method of mirabilone related substance and intermediate thereof

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Regioselective pinacol rearrangement of unsymmetrical cyclobutane-1,2-diols

Hydroxy-sulfone 34b, prepared as a mixture of trans and cis isomers by condensing the O-silyl derivative 18c of 2-hydroxy-2-methyl-cyclobutanone 18b-the Norrish II photocyclisation product of 2,3-pentanedione 21- and methyl phenyl sulfone 33 was found to rearrange selectively either to the cyclo-propanic β-ketosulfone 37 or the isomeric methyl ketone 38 by using, respectively, the tosyl fluoride/DBU and the DAST reagent. The potential of this methodology has been illustrated by a synthesis of phytal 1 from geranylacetone 46, and by the preparation from 3,4-hexanedione 51 and prenol 56-via the cyclopropanic β-ketosulfone 54 (X-ray)-of an advanced fragment of the juvenile hormone molecule 59.