41818-96-6

Basic information

• Product Name: Benzene, 1,3-dimethyl-2-(trifluoromethyl)-
• CAS NO: 41818-96-6
• Molecular Formula: C9H9F3
• Molecular Weight: 174.166
• Mol File: 41818-96-6.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: Benzene, 1,3-dimethyl-2-(trifluoromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1,3-dimethyl-2-(trifluoromethyl)-(41818-96-6)
• EPA Substance Registry System: Benzene, 1,3-dimethyl-2-(trifluoromethyl)-(41818-96-6)

Safety Data

• Hazardous Substances Data: 41818-96-6(Hazardous Substances Data)

Upstream product

• 608-28-6 2,6-dimethyliodobenzene 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 421-83-0 trifluoromethane sulfonyl chloride 
• 108-38-3 m-xylene 
• 93683-27-3 perfluoro-2,4-dimethyl-3-ethylpent-3-yl radical 
• 1246013-66-0 1-(2,6-dimethylphenyl)-3,3-diisopropyltriaz-1-ene 
• 78164-31-5 1,2-dimethyl-4-(trifluoromethyl)benzene 
• 80245-28-9 1,2-dimethyl-3-(trifluoromethyl)benzene 
• 576-22-7 2-Bromo-m-xylene 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 3360-57-4 3,5-Dimethyl-4-trifluormethyl-benzoesaeure 

Downstream Products

• 41818-98-8 3-Chlormethyl-2.6-dimethylbenzotrifluorid 
• 238074-65-2 α,α'-dibromo-2-trifluoromethyl-m-xylene 
• 41819-00-5 3-Trifluormethyl-trimellithsaeure 
• 41819-01-6 2,3,6-Tris-(trifluormethyl)-benzoylfluorid 
• 41819-04-9 2,3,6-Tris-(trifluormethyl)-benzoesaeure 
• 41819-02-7 2,3,6-Tris-(trifluormethyl)-benzamid 
• 41819-03-8 2,3,6-tris(trifluoromethyl)benzonitrile 
• 41818-99-9 2,4-Dimethyl-3-trifluormethylbenzoesaeure 
• 393-05-5 1,2,4-tris-(trifluoromethyl)-benzene 
• 207556-33-0 1,3-Bis-[(di-tert-butyl-phosphanyl)-methyl]-2-trifluoromethyl-benzene 
• 84796-70-3 1,4-dimethyl-2-(trifluoromethyl)benzene 
• 80245-28-9 1,2-dimethyl-3-(trifluoromethyl)benzene 
• 78164-31-5 1,2-dimethyl-4-(trifluoromethyl)benzene 
• 42175-45-1 2-Trifluormethyl-1,3-benzol-dicarbonsaeure 

Relevant articles and documents

Cathodic C-H Trifluoromethylation of Arenes and Heteroarenes Enabled by an in Situ-Generated Triflyltriethylammonium Complex

While several trifluoromethylation reactions involving the electrochemical generation of CF3 radicals via anodic oxidation have been reported, the alternative cathodic, reductive radical generation has remained elusive. Herein, the first cathodic trifluoromethylation of arenes and heteroarenes is reported. The method is based on the electrochemical reduction of an unstable triflyltriethylammonium complex generated in situ from inexpensive triflyl chloride and triethylamine, which produces CF3 radicals that are trapped by the arenes on the cathode surface.

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.

Trifluoromethylation of 1-aryl-3,3-diisopropyltriazenes

A new method for the trifluoromethylation of functionalized aromatic diisopropyltriazenes is described. In a facile two-step, one-pot synthesis, various functionalized trifluoromethyl-substituted arenes are accessible in mostly good yields by using methyl iodide as iodination agent and the trifluoromethylation system (trifluoromethyl)trimethylsilane/potassium fluoride/copper iodide. This concept could be expanded to perfluoroethylation as well as ethoxycarbonyldifluoromethylation reactions. Copyright