Tog­ni Reagent II CAS 887144-94-7

Iden­ti­fi­ca­tion

CAS Number

887144-94-7

Name

Tog­ni Reagent II

Syn­onyms

1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one 1,2-Benziodoxol-3(1H)-one, 1-(trifluoromethyl)- 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one

Mol­e­c­u­lar Structure

SMILES

c1ccc2c(c1)C(=O)OI2C(F)(F)F

Std­InChI

InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H

Std­InChIKey

XHEOXSQM­B­WJOKP-UHF­F­­FAOYSA-N

Mol­e­c­u­lar Formula

C8H4F3IO2

Mol­e­c­u­lar Weight

316.02

Prop­er­ties

Appear­ance

White crys­tal

Melt­ing Point

122 °C

Safe­ty Data

Sym­bol

GHS07,GHS08

Sig­nal Word

Warn­ing

Haz­ard Statements

H315-H319-H335

Pre­cau­tion­ary Statements

P261-P305 + P351 + P338

Haz­ard Codes (Europe)

Xi

Risk State­ments (Europe)

36/37/38

Safe­ty State­ments (Europe)

26-36/37

WGK Germany

3 

Spe­cial Notiee

This inter­me­di­ate is high-ener­­gy com­pound and may explode under heat, fric­tion or strik­ing. A sim­il­iar com­pound Togni’s Reagent CAS 887144-97-0 is rec­om­mend­ed for safer trans­porta­tion and stor­age.

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Tog­ni Reagent II CAS 887144-94-7

Iden­ti­fi­ca­tion Methods

HNMR, FNMR, HPLC

Assay

98% min

Pro­duc­tiv­i­ty

20kg/​month

Appli­ca­tion

• Selec­tive tri­flu­o­romethy­la­tion of 1,3-disubstituted arenes through irid­i­um-cat­­a­lyzed arene bory­la­tion and cop­per-cat­­a­lyzed trifluoromethylation1 • Cop­per-cat­­a­lyzed tri­flu­o­romethy­la­tion of aryl- and alkenyl­boron­ic acids with elec­trophilic tri­flu­o­romethy­lat­ing reagent2 • Pd-cat­­a­lyzed elec­trophilic ortho-tri­flu­o­romethy­la­­tion of arenes using tri­flu­o­roacetic acid as a promotor3 Used in the Prepa­ra­tion of • Tri­flu­o­romethylim­i­doylethyl sub­sti­tut­ed het­e­ro­cy­cles via bis(trifluoromethylsulfonyl)amine-catalyzed Rot­ter type reac­tion of het­e­ro­cy­cles with nitriles in pres­ence of trifluoromethylbenziodoxole4 • Stere­os­e­lec­tive syn­the­sis of α-tri­flu­o­romethyl alde­hy­des via trimethyl­ben­zylim­i­da­zo­lidi­none and cop­per-cat­­a­lyzed enan­tios­e­lec­tive α-tri­flu­o­romethy­la­­tion of alde­hy­des with iodo­nium salts5

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This prod­uct is devel­oped by our RD com­pa­ny Wat­son Noke Sci­en­tif­ic Ltd(http://​www​.wat​son​noke​.com/), and here is the cor­re­spond­ing linkhttp://​wat​son​noke​.com/​t​o​g​n​i​-​r​e​a​g​e​n​t​-​i​i​-​c​a​s​-​8​8​7​1​4​4​-​9​4​-7/