790184

Sodium 1-(trifluoromethyl)cyclopropanesulfinate

• Synonym(s): Baran TFCS-Na Reagent
• Empirical Formula (Hill Notation): C₄H₄F₃NaO₂S
• Molecular Weight: 196.12
• MDL number: MFCD28124332
• UNSPSC Code: 12352101
• PubChem Substance ID: 329768203
• NACRES: NA.22

Properties

• form: solid
• Quality Level: 100
• reaction suitability: reaction type: C-C Bond Formation; reagent type: catalyst; reaction type: C-H Activation
• mp: 287-292 °C
• 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

Description

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

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable