792446

Sigma-Aldrich

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:
Molecular Weight:
266.24
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

reaction suitability

reagent type: catalyst
reaction type: C-H Activation

reagent type: linker

Quality Level

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

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

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Hazard Codes

Xi

Risk Statement

36/37/38

Safety Statement

26

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis
Certificate of Origin
Samer Gnaim et al.
Bioconjugate chemistry, 27(9), 1965-1971 (2016-08-06)
We have developed a new difluoroalkyl ketal sulfinate salt reagent suitable for direct derivatization of heteroarene C-H bonds. The reagent is capable of introducing a ketone functional group on heteroarene bioactive compounds via a one-pot reaction. Remarkably, in three examples...

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