136213-52-0

Basic information

• Product Name: 1-fluoro-1-<2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy>-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octane
• CAS NO: 136213-52-0
• Molecular Weight: 852.274
• Mol File: 136213-52-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-fluoro-1-<2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy>-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octane(CAS DataBase Reference)
• NIST Chemistry Reference: 1-fluoro-1-<2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy>-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octane(136213-52-0)
• EPA Substance Registry System: 1-fluoro-1-<2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy>-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octane(136213-52-0)

Safety Data

• Hazardous Substances Data: 136213-52-0(Hazardous Substances Data)

Upstream product

• 101697-28-3 4-tert-butyl-2,6-bis<1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl>iodobenzene 
• 37818-31-8 potassium 1,1,1,3,3,3-hexafluoro-2-phenyl-2-propoxide 
• 136213-44-0 1,1-difluoro-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octane 

Downstream Products

• 136213-58-6 1-(1-<2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy>-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octyl) trifluoromethanesulfonate 
• 136213-44-0 1,1-difluoro-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octane 
• 101697-32-9 2-[3-tert-Butyl-5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol 

Relevant articles and documents

An Organic Tridentate Ligand Stabilizing a 10-I-4 Iodinane Oxide and Related Species

The tridentate ligand of iodinane 7, with electronegative apical oxygens joined by five-membered rings to an electropositive equatorial carbon, strongly stabilizes pseudo-trigonal-bipyramidal (Ψ-TBP) 10-I-3 species 7, as well as 10-I-4 species such as iodinane oxide 5.Fluorination of 7 forms a pseudooctahedral (Ψ-Oc) 12-I-5 periodinane, 4, which is easily hydrolyzed to 5, or reacts with Lewis acids to form 10-I-4 fluoroperiodonium cation 8.The equatorial I+-O- bond of 5 reacts with electrophiles at the oxygen .Small amounts of tetrabutylammonium hydroxide give nucleophilic addition to the iodine of 5 to form 12-I-5 intermediates (18) leading to rapid inversion of geometry at the 10-I-4 center of the iodinane oxide.Excess KOH cleaves the C-I bond of 5, forming the reduced arenediol 17.Diphenyldialkoxysulfurane 14 converts 5 to dialkoxyperiodinane 13, forming diphenyl sulfoxide.Iodine oxide 5 is a strong oxidizing agent, rapidly oxidizing HCl to Cl2, or pinacol to acetone.Oxidation of a diaryl sulfide to the sulfoxide and the sulfones occurs unselectively, but slowly, at 160 deg C with pure 5.With a catalytic amount of TFAA, selective oxidation of the diaryl sulfide to the sulfoxide by 5 is rapid at room temperature.