1079988-51-4

Basic information

• Product Name: 3-butyl-1-trifluoromethylbenzene
• Synonyms: 3-butyl-1-trifluoromethylbenzene
• CAS NO: 1079988-51-4
• Molecular Weight: 202.219
• Mol File: 1079988-51-4.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 3-butyl-1-trifluoromethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 3-butyl-1-trifluoromethylbenzene(1079988-51-4)
• EPA Substance Registry System: 3-butyl-1-trifluoromethylbenzene(1079988-51-4)

Safety Data

• Hazardous Substances Data: 1079988-51-4(Hazardous Substances Data)

Upstream product

• 693-03-8 n-butyl magnesium bromide 
• 1079988-47-8 dodecyl 3-trifluoromethylphenyl sulfide 
• 98-17-9 3-Trifluoromethylphenol 
• 1416330-88-5 C₉H₁₀F₃NO₃S 
• 693-04-9 butyl magnesium bromide 
• 131086-40-3 3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate 
• 104-51-8 1-butylbenzene 
• 93683-27-3 perfluoro-2,4-dimethyl-3-ethylpent-3-yl radical 
• 109-65-9 1-bromo-butane 
• 401-81-0 m-trifluoromethylphenyl iodide 
• 109-72-8 n-butyllithium 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 

Relevant articles and documents

Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings

Here, we describe a photoredox-assisted catalytic system for the direct reductive coupling of two carbon electrophiles. Recent advances have shown that nickel catalysts are active toward the coupling of sp3-carbon electrophiles and that well-controlled, light-driven coupling systems are possible. Our system, composed of a nickel catalyst, an iridium photosensitizer, and an amine electron donor, is capable of coupling halocarbons with high yields. Spectroscopic studies support a mechanism where under visible light irradiation the Ir photosensitizer in conjunction with triethanolamine are capable of reducing a nickel catalyst and activating the catalyst toward cross-coupling of carbon electrophiles. The synthetic methodology developed here operates at low 1 mol % catalyst and photosensitizer loadings. The catalytic system also operates without reaction additives such as inorganic salts or bases. A general and effective sp2-sp3 cross-coupling scheme has been achieved that exhibits tolerance to a wide array of functional groups.

Introducing a new radical trifluoromethylation reagent

Perfluoro-3-ethyl-2,4-dimethyl-3-pentyl radical (PPFR) is a persistent radical stable at room temperature, but easily decomposes at 90 °C to produce a CF3 radical which is able to react with a variety of aromatic compounds to afford the corresponding trifluoromethyl derivatives, usually as mixtures of regioisomers in good to excellent overall yields.

Nickel-catalyzed cross-coupling reactions of alkyl aryl sulfides and alkenyl alkyl sulfides with alkyl grignard reagents using (Z)-3,3-dimethyl-1,2- bis(diphenylphosphino)but-1-ene as ligand

A combination of nickel(II) acetylacetonate and (Z)-3,3-dimethyl-1,2- bis(diphenylphosphino)but-1-ene catalyzes cross-coupling reactions of alkyl aryl sulfides and alkenyl alkyl sulfides with alkyl Grignard reagents. Not only primary but also secondary alkyl Grignard reagents can be employed. Georg Thieme Verlag Stuttgart.