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Sodium 1-(trifluoromethyl)cyclopropanesulfinate

ALDRICH/790184

Synonym: Baran TFCS-Na Reagent

Empirical Formula (Hill Notation): C4H4F3NaO2S
Molecular Weight: 196.12
MDL Number: MFCD28124332
Linear Formula: C4H4F3NaO2S
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-790184-500MG 500 mg
 $298.00
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Baran Diversinate for Late-Stage Functionalization
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 790184-5G

 

form solid
InChI 1S/C4H5F3O2S.Na/c5-4(6,7)3(1-2-3)10(8)9;/h1-2H2,(H,8,9);/q;+1/p-1
InChI key IZLDENBRBYPDNY-UHFFFAOYSA-M
mp 287-292 °C
Quality Level 100 
reaction suitability reaction type: C-C Bond Formation
  reagent type: catalyst
reaction type: C-H Activation
SMILES string [O-]S(C1(CC1)C(F)(F)F)=O.[Na+]
Application: TFCS-Na is a diversification reagent for the C-H Functionalization of several classes of heterocycles. This reagent installs the trifluoromethylcyclopropyl group, which was recently reported to increase metabolic stability compared to compounds containing the tert-butyl group.

Simple Sulfinate Synthesis Enables C-H Trifluoromethylcyclopropanation 
Packaging: 5 g in glass bottle
Packaging: 500 mg in amber glass bottle
mp 287-292 °C
UNSPSC 12352101

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