81665-00-1

Basic information

• Product Name: 1-Methyl-4-(2,2,3,3,3-pentafluoro-propyl)-benzene
• Synonyms: 1-Methyl-4-(2,2,3,3,3-pentafluoro-propyl)-benzene
• CAS NO: 81665-00-1
• Molecular Weight: 224.173
• Mol File: 81665-00-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-Methyl-4-(2,2,3,3,3-pentafluoro-propyl)-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-4-(2,2,3,3,3-pentafluoro-propyl)-benzene(81665-00-1)
• EPA Substance Registry System: 1-Methyl-4-(2,2,3,3,3-pentafluoro-propyl)-benzene(81665-00-1)

Safety Data

• Hazardous Substances Data: 81665-00-1(Hazardous Substances Data)

Upstream product

• 69843-09-0 1-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene 
• 29875-07-8 (4-methylbenzyl)magnesium chloride 
• 1071124-63-4 C₉H₅F₈IO₃S 

Relevant articles and documents

A Chiral Pentafluorinated Isopropyl Group via Iodine(I)/(III) Catalysis

An I(I)/(III) catalysis strategy to construct an enantioenriched fluorinated isostere of the iPr group is reported. The difluorination of readily accessible α-CF3-styrenes is enabled by the in situ generation of a chiral ArIF2 species to forge a stereocentre with the substituents F, CH2F and CF3 (up to 95 %, >20:1 vicinal:geminal difluorination). The replacement of the metabolically labile benzylic proton results in a highly preorganised scaffold as was determined by X-ray crystallography (π→σ* and stereoelectronic gauche σ→σ* interactions). A process of catalyst editing is disclosed in which preliminary validation of enantioselectivity is placed on a structural foundation.