77745-03-0

Basic information

• Product Name: BENZYL 2,2,2-TRIFLUOROETHYL SULFIDE
• Synonyms: BENZYL 2,2,2-TRIFLUOROETHYL SULFIDE;BENZYL 2,2,2-TRIFLUOROETHYL SULPHIDE;2,2,2-TRIFLUOROETHYL SULFIDE;Benzyl 2,2,2-trifluoroethyl sulphide 97%;Benzyl2,2,2-trifluoroethylsulphide97%;2,2,2-Trifluoroethylbenzyl sulfide;2,2,2-trifluoroethylsulfanylmethylbenzene
• CAS NO: 77745-03-0
• Molecular Formula: C₉H₉F₃S
• Molecular Weight: 206.23
• Product Categories: Sulfides/Disulfides;Organic Building Blocks;Sulfur Compounds
• Mol File: 77745-03-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 45-46 °C20 mm Hg(lit.)
• Flash Point: 50 °F
• Appearance: /
• Density: 1.222 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.490(lit.)
• BRN: 4245572
• CAS DataBase Reference: BENZYL 2,2,2-TRIFLUOROETHYL SULFIDE(CAS DataBase Reference)
• NIST Chemistry Reference: BENZYL 2,2,2-TRIFLUOROETHYL SULFIDE(77745-03-0)
• EPA Substance Registry System: BENZYL 2,2,2-TRIFLUOROETHYL SULFIDE(77745-03-0)

Safety Data

• Hazard Codes: F
• Statements: 11
• Safety Statements: 9-16
• RIDADR: UN 1993 3/PG 2
• WGK Germany: 3
• F: 13
• HazardClass: 3.1
• PackingGroup: II
• Hazardous Substances Data: 77745-03-0(Hazardous Substances Data)

Usage

Uses

Benzyl 2,2,2-Trifluoroethyl Sulphide is a useful intermediate for the preparation of trifluoroethanesulfonic acid

Synthesis Reference(s)

Canadian Journal of Chemistry, 65, p. 2385, 1987 DOI: 10.1139/v87-398

Upstream product

• 371-67-5 2,2,2-trifluorodiazoethane 
• 100-53-8 phenylmethanethiol 
• 665-97-4 bis(2,2,2-trifluoroethyl) sulfate 
• 66950-71-8 2,2,2-trifluoroethyl fluorosulfate 
• 110-89-4 piperidine 
• 75-89-8 2,2,2-trifluoroethanol 
• 433-06-7 2,2,2-Trifluoroethyl p-toluenesulfonate 
• 25236-64-0 2,2,2-trifluoroethyl methanesulfonate 

Downstream Products

• 111128-37-1 (1,1-Dichloro-2,2,2-trifluoro-ethanesulfonylmethyl)-benzene 
• 28203-59-0 (benzylsulfonyl)acetic acid 
• 192882-94-3 benzyl trifluorodithioacetate 
• 103624-50-6 {[(1-chloro-2,2,2-trifluoroethyl)sulfanyl]methyl}benzene 
• 130612-80-5 Benzyl 1,2,2,2-tetrafluoroethyl sulfide 
• 1648-99-3 2,2,2-Trifluoroethanesulfonyl chloride 
• 100-44-7 benzyl chloride 
• 103624-51-7 4-(1,1-dichloro2,2,2-trifluoro-ethylthio)methylbenzene 
• 1544-53-2 2,2,2-trifluoroethanethiol 

Relevant articles and documents

New sulfuryl fluoride-derived alkylating reagents for the 1,1-dihydrofluoroalkylation of thiols

Herein, we report a new method for the one-pot synthesis of 1,1-dihydrofluoroalkyl sulfides by bubbling sulfuryl fluoride (SO2F2) through a solution of the corresponding alcohol and thiol. The reaction proceeds through a new class of bis(1,1-dihydrofluoroalkyl) sulfate reagents, to afford the desired 1,1-dihydrofluoroalkyl sulfides in 55-90% isolated yields. The bis(1,1-dihydrofluoroalkyl) sulfates are highly chemoselective for thiol alkylation, and are unreactive with competing, unprotected nucleophiles, including amines, alcohols, and carboxylic acids.

Synthesis of alkyl perfluoroalkanedithiocarboxylates and some aspects of their reactivity in cycloaddition reactions

A new method for the synthesis of the title compounds is proposed.The starting fluorinated compounds are commercially available trifluoroethanol and higher homologues, which were transformed in three steps into (2,2-dichloroperfluoroalkyl) alkylsulfides.The last step consisted in a substitution of chlorine by sulfur by treatment with zinc sulfide.The source of zinc sulfide is crucial and the possible role of catalytic impurities was investigated.These dithioesters are excellent dienophiles.Some cycloaddition reactions with 2,3-dimethylbuta-1,3-diene and 1-(trimethylsilyloxy)buta-1,3-diene are reported. - Keywords: perfluorinated dithioester; polyfluorinated sulfide; cycloaddition; tetrahydrothiopyran

Synthesis of 2,2,2-Trifluoroethanesulfonic Acid

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