792446
Sodium 1,1-difluoro-4-(2-methyl-1,3-dioxolan-2-yl)butane-1-sulfinate
Synonym(s):
Shabat Sulfinate
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About This Item
Empirical Formula (Hill Notation):
C8H13F2NaO4S
CAS Number:
Molecular Weight:
266.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Form:
solid
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
SMILES string
[O-]S(C(F)(F)CCCC1(C)OCCO1)=O.[Na+]
InChI key
UDXMRVSKBPZBMK-UHFFFAOYSA-M
form
solid
reaction suitability
reaction type: C-C Bond Formation
reagent type: catalyst
reaction type: C-H Activation
reagent type: linker
functional group
ether
fluoro
ketal
sulfinic acid
Quality Level
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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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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