Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate supplier

Name
Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate
EINECS
CAS No. 120801-75-4
Article Data8
CAS DataBase
Density 1.333 g/cm³
Solubility Reacts with water.
Melting Point
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
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;
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

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%

...Expand

: 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%

...Expand

: 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%

: phenyl o-phenylbenzenedithiocarboxylate

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1-(biphenyl-2-yl)-2,2-difluoro-1-(phenylsulfanyl)ethene

Conditions

Conditions	Yield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In toluene for 0.5h; Barton-Kellog Olefination; Schlenk technique; Reflux;	94%

: 4891-38-7
phenylpropynoic acid methyl ester

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: methyl 3,3-difluoro-2-phenylcycloprop-1-ene-1-carboxylate

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃;	94%

: 4265-16-1
2-formylbenzo[b]furan

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1449521-09-8
2-(2,2-difluorovinyl)benzo[b]furan

Conditions

Conditions	Yield
Stage #1: 2-formylbenzo[b]furan 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;	93%

: 13509-41-6
methyl N-phenylthiocarbamate

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: S-(difluoromethyl) O-methyl N-phenylcarbonimidothioate

Conditions

Conditions	Yield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In toluene at 50℃; for 0.166667h;	93%

: 139225-17-5
1-pentyl-1-hexenyl acetate

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 74667-07-5
5,6-difluoromethylene-6-acetoxyundecane

Conditions

Conditions	Yield
With sodium fluoride In various solvent(s) at 120℃;	92%

: 57179-69-8
3,6-dimethyl-5-nitropyridin-2-ol

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1188407-31-9
2-(difluoromethoxy)-3,6-dimethyl-5-nitropyridine

Conditions

Conditions	Yield
Stage #1: 3,6-dimethyl-5-nitropyridin-2-ol With sodium hydride In acetonitrile at 20℃; for 0.5h; Stage #2: trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate With cesium fluoride In acetonitrile at 23 - 30℃;	92%
With sodium hydride; cesium fluoride In acetonitrile at 23 - 30℃; for 1.66667h; Inert atmosphere;	92%

: 57179-69-8
3,6-dimethyl-5-nitropyridin-2-one

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1188407-31-9
2-(difluoromethoxy)-3,6-dimethyl-5-nitropyridine

Conditions

Conditions	Yield
With sodium hydride; cesium fluoride In acetonitrile; mineral oil at 20℃; for 1.16667h;	92%

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

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1-[tert-butyl(dimethyl)silyloxy]-2,2-difluoro-1-(1-methyl-2-phenylethenyl)cyclopropane

Conditions

Conditions	Yield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In toluene at 60℃; for 0.25h;	92%
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;

: 90982-74-4
phenyl m-chlorobenzenedithiocarboxylate

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1-m-chlorophenyl-2,2-difluoro-1-(phenylsulfanyl)ethene

Conditions

Conditions	Yield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In toluene for 0.5h; Barton-Kellog Olefination; Schlenk technique; Reflux;	92%

: 28489-45-4
6-methyl-5-nitropyridin-2-ol

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1224432-76-1
6-(difluoromethoxy)-2-methyl-3-nitropyridine

Conditions

Conditions	Yield
With sodium hydride; cesium fluoride In acetonitrile	91%

: 1429215-66-6
C17H14O

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1429215-44-0
phenyl 2,2-difluoro-3-(3,5-dimethylphenyl)cyclopropenyl ketone

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 1h; Inert atmosphere;	91%

: 3132-99-8
m-bromobenzoic aldehyde

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 84750-92-5
1-bromo-3-(2,2-difluorovinyl)benzene

Conditions

Conditions	Yield
Stage #1: m-bromobenzoic aldehyde 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;	91%

: 873-66-5
1-propenylbenzene

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: trans-1,1-difluoro-2-methyl-3-phenylcyclopropane

Conditions

Conditions	Yield
With sodium fluoride In various solvent(s) at 105℃;	90%

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 671796-41-1
1-(4-(tert-butyl)phenyl)-3-phenylprop-2-yn-1-one

: 882182-78-7
4-t-butylphenyl 2,2-difluoro-3-phenylcyclopropenyl ketone

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 1h; Inert atmosphere;	90%
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 3h;	85%

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 14939-05-0
1-phenyl-3-(4-methylphenyl)prop-2-yn-1-one

: 882182-83-4
phenyl 2,2-difluoro-3-(4-methylphenyl)cyclopropenyl ketone

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 3h;	90%
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 1h; Inert atmosphere;	87%

: 530-93-8
1,2,3,4-tetrahydronaphthalen-2-one

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 712-79-8
2-(difluoromethoxy)naphthalene

Conditions

Conditions	Yield
Stage #1: 1,2,3,4-tetrahydronaphthalen-2-one; trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate With sodium carbonate; 1,3-bis(mesityl)imidazolium chloride In toluene at 100℃; for 1h; Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene at 100℃;	90%

: 583-04-0
vinyl benzoate

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: [2,2-difluorocyclopropyl]methylbenzoate

Conditions

Conditions	Yield
With sodium fluoride at 105℃;	89%

: 18203-32-2
3-butenyl benzoate

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 117388-09-7
2-(2,2-difluorocyclopropyl)ethyl benzoate

Conditions

Conditions	Yield
With sodium fluoride at 105℃;	89%
With sodium fluoride at 110℃; for 2h; Inert atmosphere;	51%
With sodium fluoride In neat (no solvent) at 110℃; for 2h;	51%
With sodium fluoride at 110℃; for 12h;	50%
With sodium fluoride at 125℃; for 12h; Cycloaddition;

: 7338-94-5
1,3-diphenyl-2-propynone

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 882182-77-6
phenyl 2,2-difluoro-3-phenylcyclopropenyl ketone

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 3h;	89%
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 1h; Inert atmosphere;	85%

: 14674-99-8
1-phenyl-3-(3-methylphenyl)prop-2-yn-1-one

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1429215-43-9
phenyl 2,2-difluoro-3-(3-methylphenyl)cyclopropenyl ketone

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 1h; Inert atmosphere;	89%

: 6-(2-chloropyrimidin-4-yl)-1-isopropylimidazo[4,5-c]pyridin-4-ol

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: C14H12ClF2N5O

Conditions

Conditions	Yield
With sodium hydride; cesium fluoride In acetonitrile; mineral oil at 0℃; for 1h;	89%

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 39833-48-2
3-(4-bromophenyl)-1-phenylprop-2-yn-1-one

: 882182-84-5
phenyl 2,2-difluoro-3-(4-bromophenyl)cyclopropenyl ketone

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 3h;	88%
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 1h; Inert atmosphere;	85%

: 91873-75-5
1-<<2-cyclohexylideneethenyl>sulfonyl>-4-methylbenzene

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 926033-49-0
1,1-difluoro-2-[(tolyl-4-sulfonyl)methylidene]spiro[2.5]octane

Conditions

Conditions	Yield
With sodium fluoride In xylene for 3.16667h; Heating;	88%

: 1429215-67-7
C23H26O

: 120801-75-4
trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate

: 1429215-45-1
phenyl 2,2-difluoro-3-(3,5-di-t-butylphenyl)cyclopropenyl ketone

Conditions

Conditions	Yield
With sodium fluoride In diethylene glycol dimethyl ether at 120℃; for 1h; Inert atmosphere;	88%

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 .

Product Name

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate

Synthetic route

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate Chemical Properties

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate Safety Profile

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate Specification

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