792446

Sodium 1,1-difluoro-4-(2-methyl-1,3-dioxolan-2-yl)butane-1-sulfinate

• Synonym(s): Shabat Sulfinate
• Empirical Formula (Hill Notation): C₈H₁₃F₂NaO₄S
• CAS Number: 1584701-12-1
• Molecular Weight: 266.24
• MDL number: MFCD28016342
• PubChem Substance ID: 329768334
• NACRES: NA.22

Properties

• Quality Level: 100
• form: solid
• reaction suitability: reagent type: catalyst; reaction type: C-H Activation; reagent type: linker
• SMILES string: [O-]S(C(F)(F)CCCC1(C)OCCO1)=O.[Na+]
• InChI: 1S/C8H14F2O4S.Na/c1-7(13-5-6-14-7)3-2-4-8(9,10)15(11)12;/h2-6H2,1H3,(H,11,12);/q;+1/p-1
• InChI key: UDXMRVSKBPZBMK-UHFFFAOYSA-M

Description

Application

Shabat sulfinate is a difluoroalkyl ketal sulfinate sodium salt that has been used as a reagent for the introduction of the ketone functional groups on heterocyclic bioactive molecules via derivatization of C-H bonds.

Packaging

100 mg in amber glass bottle

Other Notes

Tagging the Untaggable: A Difluoroalkyl-Sulfinate Ketone-Based Reagent for Direct C-H Functionalization of Bioactive Heteroarenes

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