ALD00230

Sodium 4,4-difluorocyclohexanesulfinate

• Synonym(s): Baran DFHS-Na Reagent
• Empirical Formula (Hill Notation): C₆H₉F₂NaO₂S
• CAS Number: 1622013-58-4
• Molecular Weight: 206.19
• MDL number: MFCD28124334
• UNSPSC Code: 12352101
• PubChem Substance ID: 329772643
• NACRES: NA.22

Properties

• form: powder
• Quality Level: 100
• reaction suitability: reaction type: C-C Bond Formation; reagent type: catalyst; reaction type: C-H Activation
• mp: 290-295 °C
• SMILES string: O=S(C1CCC(F)(F)CC1)[O-].[Na+]
• InChI: 1S/C6H10F2O2S.Na/c7-6(8)3-1-5(2-4-6)11(9)10;/h5H,1-4H2,(H,9,10);/q;+1/p-1
• InChI key: YVVCXFAMBAWLEV-UHFFFAOYSA-M

Description

Application

The following Baran Sulfinate is a part of a toolbox of diversification reagents, which are ideal for the late-stage functionalization of nitrogen-containing heterocycles. The regioselectivity can be effectively tuned by modification of the pH and solvent selection.

Other Notes

Radical-Based Regioselective C-H Functionalization of Electron-Deficient Heteroarenes: Scope, Tunability, and Predictability

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: 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 Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable