368-79-6

Basic information

• Product Name: 3-Isopropenylbenzotrifluoride
• Synonyms: 3-Isopropenylbenzotrifluoride
• CAS NO: 368-79-6
• Molecular Formula: C₁₀H₉F₃
• Molecular Weight: 0
• Mol File: 368-79-6.mol
• Article Data: 14

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-Isopropenylbenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Isopropenylbenzotrifluoride(368-79-6)
• EPA Substance Registry System: 3-Isopropenylbenzotrifluoride(368-79-6)

Safety Data

• Hazardous Substances Data: 368-79-6(Hazardous Substances Data)

Upstream product

• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 126726-62-3 2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane 
• 1779-49-3 Methyltriphenylphosphonium bromide 
• 349-76-8 3'-(trifluoromethyl)acetophenone 
• 402-26-6 3-(trifluoromethyl)phenylmagnesium bromide 
• 108-22-5 Isopropenyl acetate 
• 98-15-7 3-chlorotrifluoromethylbenzene 
• 124-63-0 methanesulfonyl chloride 
• 67-64-1 acetone 
• 618-11-1 α,α-dimethyl-3-(trifluoromethyl)benzenemethanol 

Downstream Products

• 49623-20-3 3-trifluormethylisopropylbenzene 
• 21906-39-8 3-(trifluoromethyl)phenylacetone 
• 1256842-27-9 1-(2,2-dibromo-1-methylcyclopropyl)-3-(trifluoromethyl)benzene 
• 1402166-96-4 1-(1-nitropropan-2-yl)-3-(trifluoromethyl)benzene 
• 1402166-83-9 (E)-1-(1-nitroprop-1-en-2-yl)-3-(trifluoromethyl)benzene 
• 349-76-8 3'-(trifluoromethyl)acetophenone 

Relevant articles and documents

THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF

The invention provides a compound as described herein or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and methods for using such compounds and compositions.

Evaluation of Potential Safety Hazards Associated with the Suzuki-Miyaura Cross-Coupling of Aryl Bromides with Vinylboron Species

The potential safety hazards associated with the Suzuki-Miyaura cross-coupling of aryl bromides with vinylboron species were evaluated. In the Suzuki-Miyaura cross-coupling of 1-bromo-3-(trifluoromethyl)benzene with potassium vinyltrifluoroborate in the presence of potassium carbonate (K2CO3) in 9:1 dimethyl sulfoxide (DMSO)/water at 80 °C, the thermal profile revealed a significant exotherm upon the addition of catalytic 1,1′-bis(diphenylphosphino)ferrocene palladium(II) dichloride [Pd(dppf)Cl2]. Further investigations indicated that the exotherm was consistently higher and the reactions were faster in the studied aqueous systems compared to anhydrous conditions. Although under anhydrous conditions the exotherms were comparable among the studied cases, the rate of the exotherm was highly dependent on the choice of aryl electrophile, solvent, base, catalyst, as well as vinylboron species. In many of the studied cases the maximum temperature of a synthesis reaction (MTSR) was considerably higher than the boiling point of the solvent and/or the onset temperature of the DMSO decomposition, indicating that in the absence of active cooling the system could quickly exceed the boiling point of the solvent or trigger the decomposition of the reaction mixture to result in a runaway reaction.

Palladium-Catalyzed Direct Intramolecular C-N Bond Formation: Access to Multisubstituted Dihydropyrroles

A palladium-catalyzed intramolecular amination of alkenes with retention of olefin functionalization was achieved under mild reaction conditions. In the presence of palladium catalyst, the tosyl-protected amine can directly couple with a double bond to provide versatile dihydropyrrole derivatives in moderate to excellent yields.