61342-04-9

Basic information

• Product Name: Benzene, 1-butyl-4-(trifluoromethyl)-
• CAS NO: 61342-04-9
• Molecular Formula: C11H13F3
• Molecular Weight: 202.219
• Mol File: 61342-04-9.mol
• Article Data: 24

Chemical Properties

• CAS DataBase Reference: Benzene, 1-butyl-4-(trifluoromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-butyl-4-(trifluoromethyl)-(61342-04-9)
• EPA Substance Registry System: Benzene, 1-butyl-4-(trifluoromethyl)-(61342-04-9)

Safety Data

• Hazardous Substances Data: 61342-04-9(Hazardous Substances Data)

Upstream product

• 4426-47-5 butylboronic acid 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 98-56-6 4-chlorobenzotrifluoride 
• 109-72-8 n-butyllithium 
• 455-13-0 4-Iodobenzotrifluoride 
• 15499-27-1 4-n-butylchlorobenzene 
• 120120-26-5 (trifluoromethyl)triethylsilane 
• 28788-62-7 4-butylbenzoyl chloride 
• 109-65-9 1-bromo-butane 
• 104-51-8 1-butylbenzene 
• 93683-27-3 perfluoro-2,4-dimethyl-3-ethylpent-3-yl radical 
• 1215100-19-8 4-n-butylphenyl trifluoromethanesulfonate 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 887144-97-0 Togni's reagent 

Relevant articles and documents

Deoxyfluorination of acyl fluorides to trifluoromethyl compounds by FLUOLEAD/Olah's reagent under solvent-free conditions

A new protocol enabling the formation of trifluoromethyl compounds from acyl fluorides has been developed. The combination of FLUOLEAD and Olah's reagent in solvent-free conditions at 70 °C initiated the significant deoxyfluorination of the acyl fluorides and resulted in the corresponding trifluoromethyl products with high yields (up to 99%). This strategy showed a great tolerance for various acyl fluorides containing aryloyl, (heteroaryl)oyl, or aliphatic acyl moieties, providing good to excellent yields of the trifluoromethyl products. Synthetic drug-like molecules were also transformed into the corresponding trifluoromethyl compounds under the same reaction conditions. A reaction mechanism is proposed.

Heterogeneous Nickel-Catalyzed Cross-Coupling between Aryl Chlorides and Alkyllithiums Using a Polystyrene-Cross-Linking Bisphosphine Ligand

A polystyrene-cross-linking bisphosphine ligand PS-DPPBz was used for Ni-catalyzed cross-coupling with organolithiums. A bench-stable precatalyst [NiCl2(PS-DPPBz)] enabled efficient coupling reactions between aryl chlorides and alkyllithiums. The heterogeneous Ni system showed good reusability. (Figure presented.).

Pd-Catalyzed Decarbonylative Cross-Couplings of Aroyl Chlorides

This report describes a method for Pd-catalyzed decarbonylative cross-coupling that enables the conversion of carboxylic acid derivatives to biaryls, aryl amines, aryl ethers, aryl sulfides, aryl boronate esters, and trifluoromethylated arenes. The success of this transformation leverages the Pd0/Brettphos-catalyzed decarbonylative chlorination of aroyl chlorides, which can then participate in diverse cross-coupling reactions in situ using the same Pd catalyst.