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Merck
CN

754218

3,3-二甲基-1-(三氟甲基)-1,2-苯并碘氧杂戊环

98%

别名:

1,3-二氢-3,3-二甲基-1-(三氟甲基)-1,2-苯并碘氧杂戊环, Togni 试剂

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关于此项目

经验公式(希尔记法):
C10H10F3IO
化学文摘社编号:
分子量:
330.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
Assay:
98%
Form:
powder
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assay

98%

form

powder

mp

75-79 °C

storage temp.

2-8°C

SMILES string

CC1(C)O[I](c2ccccc12)C(F)(F)F

InChI

1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3

InChI key

HVAPLSNCVYXFDQ-UHFFFAOYSA-N

Application

  • Selective trifluoromethylation of 1,3-disubstituted arenes through iridium-catalyzed arene borylation and copper-catalyzed trifluoromethylation
  • Copper-catalyzed trifluoromethylation of aryl- and alkenylboronic acids with electrophilic trifluoromethylating reagent
  • Pd-catalyzed electrophilic ortho-trifluoromethylation of arenes using trifluoroacetic acid as a promotor

Used in the Preparation of
  • Trifluoromethylimidoylethyl substituted heterocycles via bis(trifluoromethylsulfonyl)amine-catalyzed Rotter type reaction of heterocycles with nitriles in presence of trifluoromethylbenziodoxole
  • Stereoselective synthesis of α-trifluoromethyl aldehydes via trimethylbenzylimidazolidinone and copper-catalyzed enantioselective α-trifluoromethylation of aldehydes with iodonium salts


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pictograms

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signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Sol. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

4.1B - Flammable solid hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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相关内容

Togni group develops ligands and reagents for constructing molecules in efficient or unprecedented ways.

Baran Reagents - FAQ


A Ritter-type reaction: direct electrophilic trifluoromethylation at nitrogen atoms using hypervalent iodine reagents.
Katrin Niedermann et al.
Angewandte Chemie (International ed. in English), 50(5), 1059-1063 (2011-01-27)
Tianfei Liu et al.
Organic letters, 13(9), 2342-2345 (2011-04-09)
A copper-catalyzed trifluoromethylation of aryl- and alkenylboronic acids with Togni's reagent was described. The reaction proceeded in good to excellent yields for a range of different substrates including heteroarylboronic acids and substrates with a variety of functional groups under mild
Tianfei Liu et al.
Angewandte Chemie (International ed. in English), 51(2), 540-543 (2011-12-01)
The old one two: A sequential iridium-catalyzed borylation and copper-catalyzed trifluoromethylation of arenes is described (see scheme; Pin = pinacol). The reaction is conducted under mild reaction conditions and tolerates a variety of functional groups. The advantages of this tandem



全球贸易项目编号

货号GTIN
754218-100MG04061833241509
754218-500MG04061833241516