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Cas Database

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

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate Chemical Properties

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

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate Safety Profile

Safty information about Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate (CAS NO.120801-75-4) is:
Hazard Codes: Corrosive C; F; Irritant Xi
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

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate 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 .

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