940881-02-7

Basic information

• Product Name: 1-methyl-4-{[(1E)-3,3,3-trifluoroprop-1-en-1-yl]sulfanyl}benzene
• Synonyms: 4-Methylphenyl (1E)-3,3,3-trifluoroprop-1-en-1-yl sulfide
• CAS NO: 940881-02-7
• Molecular Formula: C₁₀H₉F₃S
• Molecular Weight: 218.2387
• Mol File: 940881-02-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 267.2°C at 760 mmHg
• Flash Point: 115.4°C
• Density: 1.22g/cm³
• Vapor Pressure: 0.0136mmHg at 25°C
• Refractive Index: 1.51
• CAS DataBase Reference: 1-methyl-4-{[(1E)-3,3,3-trifluoroprop-1-en-1-yl]sulfanyl}benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-4-{[(1E)-3,3,3-trifluoroprop-1-en-1-yl]sulfanyl}benzene(940881-02-7)
• EPA Substance Registry System: 1-methyl-4-{[(1E)-3,3,3-trifluoroprop-1-en-1-yl]sulfanyl}benzene(940881-02-7)

Safety Data

• Hazardous Substances Data: 940881-02-7(Hazardous Substances Data)

Usage

General Description

1-methyl-4-{[(1E)-3,3,3-trifluoroprop-1-en-1-yl]sulfanyl}benzene is a chemical compound with the molecular formula C10H9F3S. It is a colorless to pale yellow liquid that is primarily used as a reagent in organic synthesis. 1-methyl-4-{[(1E)-3,3,3-trifluoroprop-1-en-1-yl]sulfanyl}benzene contains a benzene ring with a methyl group and a trifluoropropenylsulfanyl group attached to it. The trifluoropropenylsulfanyl group consists of a double bond between carbon atoms and three fluorine atoms, as well as a sulfur atom. 1-methyl-4-{[(1E)-3,3,3-trifluoroprop-1-en-1-yl]sulfanyl}benzene has potential applications in the production of specialty chemicals, pharmaceuticals, and agrochemicals, and it may also have uses as an intermediate in the manufacturing of other chemical compounds. Additionally, it is important to handle this compound with care, as it may pose health and safety hazards if not used properly.

Upstream product

• 940881-11-8 (E)-(3,3,3-trifluoro-1-(p-tolylthio)prop-1-enyl)trimethylsilane 
• 1514-82-5 2-bromo-3,3,3-trifluoropropene 
• 106-45-6 para-thiocresol 

Downstream Products

• 940881-16-3 (E)-(4,4,4-trifluoro-2-(p-tolylthio)but-2-enyl)trimethylsilane 
• 940881-32-3 (E)-4,4,4-trifluoro-1-p-tolyl-2-(p-tolylthio)but-2-en-1-one 
• 940881-11-8 (E)-(3,3,3-trifluoro-1-(p-tolylthio)prop-1-enyl)trimethylsilane 
• 1147999-66-3 (E)-triethyl(3,3,3-trifluoro-1-(p-tolylthio)prop-1-enyl)-silane 
• 1147999-69-6 4-(3,3,3-trifluoro-1-(p-tolylthio)prop-1-enylthio)-1-methylbenzene 
• 1147999-67-4 (E)-(3,3,3-trifluoro-1-(p-tolylthio)prop-1-enyl)-diisopropylsilane 
• 1147999-74-3 methyl (E)-4,4,4-trifluoro-2-(p-tolylthio)but-2-enoate 

Relevant articles and documents

Palladium-catalyzed geometrically selective hydrogenation of (Z)-trifluoromethyl alkenyl triflate: An efficient approach to (Z) or (E)-3,3,3-trifluoropropenyl derivatives

A Pd-catalyzed hydrogenation of (Z)-trifluoromethyl alkenyl triflate providing either (Z)- or (E)-3,3,3-trifluoropropenyl derivatives with excellent divergent geometric control in good yield is described. Catalyzed by Pd(OAc)2/PPh3, the reduction of (Z)-trifluoromethyl alkenyl triflates with HSiEt3 gave (E)-3,3,3-trifluoropropenyl derivatives, and while using HCOOH/Et3N as the reducing agent, the (Z)-isomers were obtained through an elimination/hydrogenation tandem pathway. Both transformations showed excellent geometrical selectivity.

Facile synthesis of α-functionalized vinyl sulfides bearing β-trifluoromethyl group: a highly potential CF3-containing building blocks

The β-(trifluoromethyl)vinylsulfides on treatment with n-BuLi/TMEDA were readily lithiated at α-position of the sulfanyl group, and the generated α-lithiovinylsulfides were trapped with a variety of electrophiles to give the corresponding β-trifluoromethy