790184
Sodium 1-(trifluoromethyl)cyclopropanesulfinate
别名:
Baran TFCS-Na Reagent
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关于此项目
经验公式（希尔记法）:
C4H4F3NaO2S
分子量:
196.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
InChI
1S/C4H5F3O2S.Na/c5-4(6,7)3(1-2-3)10(8)9;/h1-2H2,(H,8,9);/q;+1/p-1
SMILES string
[O-]S(C1(CC1)C(F)(F)F)=O.[Na+]
InChI key
IZLDENBRBYPDNY-UHFFFAOYSA-M
form
solid
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
Quality Level
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
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
David Barnes-Seeman et al.
ACS medicinal chemistry letters, 4(6), 514-516 (2014-06-06)
Susceptibility to metabolism is a common issue with the tert-butyl group on compounds of medicinal interest. We demonstrate an approach of removing all the fully sp(3) C-Hs from a tert-butyl group: replacing some C-Hs with C-Fs and increasing the s-character
商品
Rapidly diversify (hetero)aromatic scaffolds for chemical industry needs amid resource and time constraints, ensuring efficiency.
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