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ALD00230

Sodium 4,4-difluorocyclohexanesulfinate

Synonym(s):

Baran DFHS-Na Reagent

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About This Item

Empirical Formula (Hill Notation):
C6H9F2NaO2S
CAS Number:
1622013-58-4
Molecular Weight:
206.19
NACRES:
NA.22
PubChem Substance ID:
329772643
UNSPSC Code:
12352101
MDL number:
MFCD28124334
Form:
powder
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form

powder

Quality Segment

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

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

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