84796-70-3

Basic information

• Product Name: Benzene, 1,4-dimethyl-2-(trifluoromethyl)-
• CAS NO: 84796-70-3
• Molecular Formula: C9H9F3
• Molecular Weight: 174.166
• Mol File: 84796-70-3.mol
• Article Data: 15

Chemical Properties

• CAS DataBase Reference: Benzene, 1,4-dimethyl-2-(trifluoromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1,4-dimethyl-2-(trifluoromethyl)-(84796-70-3)
• EPA Substance Registry System: Benzene, 1,4-dimethyl-2-(trifluoromethyl)-(84796-70-3)

Safety Data

• Hazardous Substances Data: 84796-70-3(Hazardous Substances Data)

Upstream product

• 421-83-0 trifluoromethane sulfonyl chloride 
• 106-42-3 para-xylene 
• 55642-42-7 bis(trifluoromethyl)tellurium 
• 41818-96-6 1,3-dimethyl-2-(trifluoromethyl)benzene 
• 553-94-6 4-bromo-m-xylene 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 1338601-22-1 2-(2,5-dimethylphenyl)-1,3,2-dioxaborolane 
• 2926-29-6 Langlois reagent 
• 93683-27-3 perfluoro-2,4-dimethyl-3-ethylpent-3-yl radical 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 407-25-0 trifluoroacetic anhydride 
• 12129-27-0 (η6-p-xylene)tricarbonylchromium(0) 
• 75-63-8 Bromotrifluoromethane 
• 445-01-2 5-bromo-2-chlorobenzotrifluoride 

Downstream Products

• 93841-19-1 2,4-dimethyl-1-(trifluoromethyl)benzene 
• 86845-29-6 1,3-dimethyl-5-trifluoromethylbenzene 
• 1483-47-2 2-(trifluoromethyl)terephthalic acid 

Relevant articles and documents

CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT

The present disclosure relates to reagents and method for performing trifluoromethylation, difluoromethylation or alkylation of aromatic or heteroaromatic rings in a redox-neutral manner without any catalyst which are enabled by light. In addition, there are methods for synthesizing the starting reagents used in the trifluoromethylation, difluoromethylation or alkylation reactions.

The first nucleophilic C-H perfluoroalkylation of aromatic compounds via (arene)tricarbonylchromium complexes

The first nucleophilic perfluoroalkylation of arenes is based on the arene π-system activation via (η6-arene)tricarbonylchromium complexes. Perfluoroalkyl anions generated from Me3SiRF and a fluoride ion source [Me4N]F exclusively attack the arene ligand under mild conditions. The formed negatively charged analogs of Meisenheimer adducts readily undergo a one-pot oxidation to perfluoroalkyl arenes.

Palladium-Catalyzed Trifluoromethylation of (Hetero)Arenes with CF3Br

The CF3 group is an omnipresent motif found in many pharmaceuticals, agrochemicals, catalysts, materials, and industrial chemicals. Despite well-established trifluoromethylation methodologies, the straightforward and selective introduction of such groups into (hetero)arenes using available and less expensive sources is still a major challenge. In this regard, the selective synthesis of various trifluoromethyl-substituted (hetero)arenes by palladium-catalyzed C-H functionalization is herein reported. This novel methodology proceeds under comparably mild reaction conditions with good regio- and chemoselectivity. As examples, trifluoromethylations of biologically important molecules, such as melatonin, theophylline, caffeine, and pentoxifylline, are showcased.