53451-91-5

Basic information

• Product Name: Benzene, 1-[(4-methoxyphenyl)thio]-4-(trifluoromethyl)-
• CAS NO: 53451-91-5
• Molecular Formula: C14H11F3OS
• Molecular Weight: 284.302
• Mol File: 53451-91-5.mol
• Article Data: 27

Chemical Properties

• CAS DataBase Reference: Benzene, 1-[(4-methoxyphenyl)thio]-4-(trifluoromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-[(4-methoxyphenyl)thio]-4-(trifluoromethyl)-(53451-91-5)
• EPA Substance Registry System: Benzene, 1-[(4-methoxyphenyl)thio]-4-(trifluoromethyl)-(53451-91-5)

Safety Data

• Hazardous Substances Data: 53451-91-5(Hazardous Substances Data)

Upstream product

• 696-63-9 4-Methoxybenzenethiol 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 455-13-0 4-Iodobenzotrifluoride 
• 696-62-8 para-iodoanisole 
• 5720-07-0 4-methoxyphenylboronic acid 
• 128796-39-4 4-trifluoromethylphenylboronic acid 
• 1561023-48-0 sodium S-4-(trifluoromethyl)phenyl sulfothioate 
• 100-66-3 methoxybenzene 
• 21130-91-6 triethoxy(4-methoxyphenyl)silane 
• 98-68-0 4-methoxy-phenyl-sulphonyl chloride 
• 402-54-0 p-nitrobenzotrifluoride 
• 368-90-1 4-(trifluoromethyl)phenylhydrazine 
• 2991-42-6 4-trifluorophenylsulfonyl chloride 
• 825-83-2 4-trifluoromethylbenzenethiol 

Downstream Products

• 398126-90-4 1-methoxy-4-{[4-(trifluoromethyl)phenyl]sulfinyl}benzene 
• 455-24-3 4-trifluoromethylbenzoic acid 
• 455-13-0 4-Iodobenzotrifluoride 

Relevant articles and documents

Palladium-catalysed thioetherification of aryl and alkenyl iodides using 1,3,5-trithiane as sulfur source

Thioetherification reaction of aryl iodides catalysed by palladium(II) complexes in the presence of 1,3,5-trithiane as sulphur source is reported. The paper presents the first homogeneous catalytic application of 1,3,5-trithiane in synthesis. Detailed optimization steps, the frames of the novel reaction are described, as well as the limitations and the substrate scope are also demonstrated. Moderate to good thioether yields were achieved in the presence of various substituted iodobenzenes and some alkenyl iodides, using palladium-xantphos catalyst system. Competitive reactions in the presence of mixed substrates were also performed and mechanistic considerations were assumed.

Coupling of thiols and aromatic halides promoted by diboron derived super electron donors

We have proven that pyridine-boryl complexes can be used as superelectron donors to promote the coupling of thiols and aromatic halides through a SRN1 mechanism. The reaction is efficient for a broad substrate scope, tolerating heterocycles including pyridines, enolizable or reducible functional groups. The method has been applied to intermediates in drug synthesis as well as interesting functionalized polythioethers through a controlled and consecutive intramolecular electron transfer process.

Ni-catalyzed C–S bond cleavage of aryl 2-pyridyl thioethers coupling with alkyl and aryl thiols

A nickel-catalyzed C–SPy bond activation reactions to produce a variety of thioethers has been developed. The reaction is promoted by a user-friendly, inexpensive, air and moisture-stable Ni precatalyst. Various aryl 2-pyridyl thioethers and a wide range of alkyl and aryl thiols substrates were tolerated in this process which afforded products in moderate to excellent yields.