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94324

Deoxo-Fluor solution

~50% in toluene (NMR)

Synonym(s):

Bis(2-methoxyethyl)aminosulfur trifluoride solution

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About This Item

Empirical Formula (Hill Notation):
C6H14F3NO2S
CAS Number:
202289-38-1
Molecular Weight:
221.24
UNSPSC Code:
12352101
PubChem Substance ID:
57653597
MDL number:
MFCD01321415
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form

liquid

concentration

~50% in toluene (NMR)

color

clear yellow

storage temp.

2-8°C

SMILES string

COCCN(CCOC)S(F)(F)F

InChI

1S/C6H14F3NO2S/c1-11-5-3-10(4-6-12-2)13(7,8)9/h3-6H2,1-2H3

InChI key

APOYTRAZFJURPB-UHFFFAOYSA-N

Application

Reactant for:
  • Fluorination reactions
  • Preparation of fluorinated catechols via Umpolung based nucleophilic deoxyfluorination
  • Preparation of imidazole derivatives as CXCR3 antagonists
  • Ring expansion reactions
  • Synthesis of acyl azides from carboxylic acids
  • Aldehydes or ketones from carboxylic acids and Grignard reagents via in situ generation of Weinreb amides

Other Notes

Fluorinating agent with high thermal stability

Legal Information

signalword

Danger

target_organs

Central nervous system, Respiratory system

Storage Class

4.3 - Hazardous materials which set free flammable gases upon contact with water

wgk

WGK 3

flash_point_f

<50.0 °F - closed cup

flash_point_c

< 10 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Asp. Tox. 1 - Eye Dam. 1 - Flam. Liq. 2 - Repr. 2 - Skin Corr. 1A - STOT RE 2 - STOT SE 3 - Water-react. 2

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBR6559V
BCBM5379V
BCBL6138V
BCBJ0053V
BCBD8092V

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Rajendra P Singh et al.
The Journal of organic chemistry, 68(15), 6063-6065 (2003-07-19)
New alpha,alpha-difluoroamides (4a-d, 6a-d) and alpha-ketoamides (5a-d, 7a-d) result from one-pot reactions of alpha-ketoacids, RCOCO(2)H (R = C(6)H(5), CH(3), CH(3)CH(2), thienyl) (1a-d) with bis(2-methoxyethyl)aminosulfur trifluoride [(CH(3)OCH(2)CH(2))(2)NSF(3)] (2) (Deoxofluor) or diethylaminosulfur trifluoride [(CH(3)CH(2))(2)NSF(3))] (3) (DAST). Product yields depend on reaction times
Lal et al.
The Journal of organic chemistry, 65(16), 4830-4832 (2000-08-24)
A variety of thiocarbonyl derivatives (thioketone, thioester, thioamide, dithioester, and dithiocarbamate) were converted to the corresponding gem-difluorides in excellent yields on reaction with the fluorinating agent, bis(2-methoxyethyl)aminosulfur trifluoride, in the presence of SbCl(3).
R.P. Singh, J.M. Shreeve
Journal of Fluorine Chemistry, 116, 23-23 (2002)
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