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745405

Sigma-Aldrich

Sodium 1,1-difluoroethanesulfinate

Synonym(s):

Baran DFES Reagent, Baran Difluoroethylation Reagent, DFES-Na Reagent, Sodium 1,1-difluoroethylsulfinate

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About This Item

Empirical Formula (Hill Notation):
C2H3F2NaO2S
CAS Number:
Molecular Weight:
152.10
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.22

form

solid

reaction suitability

reaction type: C-C Bond Formation
reaction type: Fluorinations
reagent type: catalyst
reaction type: C-H Activation

reagent type: diversification reagent

mp

>300 °C

SMILES string

[Na+].CC(F)(F)S([O-])=O

InChI

1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1

InChI key

YAUVUSSCQUHHFC-UHFFFAOYSA-M

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Application

DFES-Na provides a direct approach to fluorinated heteroarylether bioisosteres by appending a 1,1-difluoroethyl group operationally simple and robust protocol. This reagent was developed by the Baran Group and is one of several reagents for the direct alkylation of heterocycles.

Learn More at the Professor and Product Portal of Professor Phil S. Baran.
Baran Diversinates(TM) Lead Diversification and Metabolism Prediction Flyer

Linkage

Frequently Asked Questions are available for this Product.

Other Notes

Previously sold under product number L511404

pictograms

Exclamation mark

signalword

Warning

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


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Direct synthesis of fluorinated heteroarylether bioisosteres.
Qianghui Zhou et al.
Angewandte Chemie (International ed. in English), 52(14), 3949-3952 (2013-03-06)
Fionn O'Hara et al.
Journal of the American Chemical Society, 135(32), 12122-12134 (2013-07-19)
Radical addition processes can be ideally suited for the direct functionalization of heteroaromatic bases, yet these processes are only sparsely used due to the perception of poor or unreliable control of regiochemistry. A systematic investigation of factors affecting the regiochemistry

Articles

Rapidly diversify (hetero)aromatic scaffolds for chemical industry needs amid resource and time constraints, ensuring efficiency.

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