790184
Sodium 1-(trifluoromethyl)cyclopropanesulfinate
Synonym(s):
Baran TFCS-Na Reagent
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About This Item
Empirical Formula (Hill Notation):
C4H4F3NaO2S
Molecular Weight:
196.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
Form:
solid
form
solid
Quality Segment
reaction suitability
reaction type: C-C Bond Formation, reagent type: catalyst
reaction type: C-H Activation
mp
287-292 °C
functional group
fluoro, sulfinic acid
SMILES string
[O-]S(C1(CC1)C(F)(F)F)=O.[Na+]
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
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
Simple Sulfinate Synthesis Enables C-H Trifluoromethylcyclopropanation
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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