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Basic Information
CAS No.: 120801-75-4
Name: Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate
Article Data: 8
Molecular Structure:
Molecular Structure of 120801-75-4 (Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate)
Formula: C5H9F3O4SSi
Molecular Weight: 250.271
Synonyms: Trimethylsilyl2-fluorosulfonyl-2,2-difluoroacetate;Aceticacid, difluoro(fluorosulfonyl)-, trimethylsilyl ester (9CI);Trimethylsilyl(fluorosulfonyl)difluoroacetate;Trimethylsilyl2,2-difluoro-2-(fluorosulfonyl)acetate;
Density: 1.333 g/cm3
Boiling Point: 160.4 °C at 760 mmHg
Flash Point: 50.8 °C
Solubility: Reacts with water.
Hazard Symbols: CorrosiveC, FlammableF, IrritantXi
Risk Codes: 10-34
Safety: 16-26-27-36/37/39
Transport Information: UN 2920 8/PG 2
PSA: 68.82000
LogP: 2.33740
Synthetic route
107-46-0

Hexamethyldisiloxane

677-67-8

fluorosulfonyldifluoroacetyl fluoride

A

420-56-4

trimethylsilyl fluoride

B

1717-59-5

2,2-difluoro-2-(fluorosulfonyl)acetic acid

C

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

Conditions
ConditionsYield
Stage #1: Hexamethyldisiloxane; fluorosulfonyldifluoroacetyl fluoride at 0 - 100.6℃; under 4350.44 - 5925.59 Torr; for 18h;
Stage #2: With chloro-trimethyl-silane at 20 - 107.8℃; Product distribution / selectivity; Heating / reflux;
A n/a
B n/a
C 85%
107-46-0

Hexamethyldisiloxane

677-67-8

fluorosulfonyldifluoroacetyl fluoride

A

420-56-4

trimethylsilyl fluoride

B

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

Conditions
ConditionsYield
With chloro-trimethyl-silane at 105℃; under 4200.42 Torr; for 6h;A n/a
B 84%
75-77-4

chloro-trimethyl-silane

1717-59-5

2,2-difluoro-2-(fluorosulfonyl)acetic acid

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

Conditions
ConditionsYield
at 0 - 20℃; for 26h; Inert atmosphere;83%
at 20℃;78%
at 0℃; Esterification;78%
for 12h; Heating;
at 0 - 65℃; for 19h; Inert atmosphere;
16029-98-4

trimethylsilyl iodide

(fluorosulfonyl)difluoroacetic acid silver salt

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

Conditions
ConditionsYield
for 24h; -196 deg C upto room temp.;29%
53300-46-2

N-(cyclohexylthiocarbonyl)aniline

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

S-difluoromethyl N-phenylcyclohexanecarbothioimidate

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In toluene at 80℃; for 0.166667h; Temperature; Solvent; Optical yield = 58 %de;100%
22007-40-5

4-Methoxyphenylthiocarbamidsaeure-O-isopropylester

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

S-(difluoromethyl) O-isopropyl N-(p-methoxyphenyl)carbonimidothioate

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In toluene at 50℃; for 0.166667h;97%
73568-25-9

2-chloro-3-quinoline carboxaldehyde

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

2-chloro-3-(2,2-difluorovinyl)quinoline

Conditions
ConditionsYield
Stage #1: 2-chloro-3-quinoline carboxaldehyde With sodium fluoride; triphenylphosphine In ethyl acetate at 90℃; for 0.0166667h; Wittig Olefination; Schlenk technique; Inert atmosphere;
Stage #2: trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate In ethyl acetate at 90℃; for 1h; Schlenk technique; Inert atmosphere;
96%

2-bromo-3-[tert-butyl(dimethyl)silyloxy]-1-phenylbuta-1,3-diene

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

1-(1-bromo-2-phenylethenyl)-1-[tert-butyl(dimethyl)silyloxy]-2,2-difluorocyclopropan

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In toluene at 60℃; for 0.25h;96%
With 1,1,1,3,3,3-hexafluoro-2,2-di(p-tolyl)propane; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In para-xylene at 60℃; for 0.25h; regioselective reaction;
120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

20442-66-4

3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one

882182-82-3

[3,3-difluoro-2-(4-methoxy-phenyl)-cycloprop-1-enyl]-phenyl-methanone

Conditions
ConditionsYield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 3h;95%
50555-04-9

cinnamyl benzoate

120801-75-4

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

trans-2,2-difluoro-3-phenylcyclopropylmethyl benzoate

Conditions
ConditionsYield
With sodium fluoride In various solvent(s) at 120℃;94%
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Chemistry

Molecular structure of Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate (CAS NO.120801-75-4) is:

Product Name: Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate
CAS Registry Number: 120801-75-4
Empirical Formula: C5H9F3O4SSi
Molecular Weight: 250.2683
Surface Tension: 25.4 dyne/cm
Density: 1.333 g/cm3
Flash Point: 50.8 °C
Enthalpy of Vaporization: 39.7 kJ/mol
Boiling Point: 160.4 °C at 760 mmHg
Vapour Pressure: 2.39 mmHg at 25°C
Refractive index: n20/D 1.367(lit.)
Product Categories: C-C Bond Formation;Others;Synthetic Reagents

Safety Profile

Safty information about Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate (CAS NO.120801-75-4) is:
Hazard Codes: CorrosiveC; FlammableF; IrritantXi
Risk Statements: 10-34 
R10:Flammable. 
R34:Causes burns.
Safety Statements: 16-26-27-36/37/39 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2920 8/PG 2
WGK Germany: 2
Hazard Note: Flammable/Corrosive
HazardClass: 8
PackingGroup: II

Specification

 Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate , its cas register number is 120801-75-4. It also can be called Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate .