Structure of Togni Reagent II CAS 887144-94-7

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

Structure of Togni Reagent II CAS 887144-94-7

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

health-hazard-jpgexclamation-mark-jpgGHS07,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

General View of Doccuments

Togni Reagent II CAS 887144-94-7 HNMR and CNMR

Togni Reagent II CAS 887144-94-7 HNMR and CNMR


Togni Reagent II CAS 887144-94-7 FNMR

Togni Reagent II CAS 887144-94-7 FNMR

Links

This product is sold exclusively through our sales company Watson International Ltd, and please click the link below for details.
http://watson-int.com/togni-reagent-ii-cas-887144-94-7/