form
solid
Quality Level
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
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
商品
Rapidly diversify (hetero)aromatic scaffolds for chemical industry needs amid resource and time constraints, ensuring efficiency.
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
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 790184-500MG | 04061833231951 |
| 790184-5G | 04061833332702 |