ChemicalBook--->CAS DataBase List--->680-15-9

680-15-9

680-15-9 Structure

680-15-9 Structure
IdentificationMore
[Name]

Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate
[CAS]

680-15-9
[Synonyms]

FLUOROSULFONYL(DIFLUORO)ACETIC ACID METHYL ESTER
METHYL 2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETATE
METHYL 2-(FLUOROSULFONYL)DIFLUOROACETATE
METHYL DIFLUORO(FLUOROSULFONYL)ACETATE
METHYL FLUOROSULFONYLDIFLUOROACETATE
METHYL FLUOROSULPHONYLDIFLUOROACETATE
METHYL 2,2-DIFLUORO-2-(FLUOROSULFONYL)-A
FLUOROSULFONYL ACETIC ACID METHYL ESTER
Methyl fluorosulphonyldifluoroacetate 97%
Methylfluorosulphonyldifluoroacetate97%
Difluoro(fluorosulfonyl)acetic acid methyl ester
[EINECS(EC#)]

808-179-4
[Molecular Formula]

C3H3F3O4S
[MDL Number]

MFCD00144316
[Molecular Weight]

192.11
[MOL File]

680-15-9.mol
Questions And AnswerBack Directory
[Synthesis]

Synthetic Route of Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate

Equip a 1000 mL oven-dried three-necked round-bottom flask with a magnetic stir bar, an attached constant-pressure funnel, and a gas outlet. Connect the gas outlet to an empty 500 mL spare trap, which is then connected to the outlet of an inverted glass funnel located directly above a 1000 mL beaker containing 120 g NaOH in 600 mL of water. Add anhydrous methanol (160 g) to the flask. Add tetrafluoroethane-β-sulfonyl lactone (440 g) dropwise to the mixture through a feeding funnel with stirring. Cool the mixture in an ice bath for 3 hours. After the addition is complete, gradually heat the reaction mixture to room temperature. Stir the mixture overnight at room temperature.

After purging with nitrogen for 1 hour to completely remove residual HF from the system, the resulting reaction mixture was washed with water (2 × 400 mL) and brine (2 × 400 mL) to remove residual methanol. The organic phase was collected and dried over anhydrous sodium sulfate. After filtration, the crude product was purified by distillation.
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Boiling point ]

117-118 °C(lit.)
[density ]

1.509 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.351(lit.)
[Fp ]

118 °F
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

liquid
[color ]

colorless to yellow
[Specific Gravity]

1.52
[Detection Methods]

GC,NMR
[BRN ]

1812896
[InChI]

InChI=1S/C3H3F3O4S/c1-10-2(7)3(4,5)11(6,8)9/h1H3
[InChIKey]

GQJCAQADCPTHKN-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C(F)(F)S(F)(=O)=O
[CAS DataBase Reference]

680-15-9(CAS DataBase Reference)
[Storage Precautions]

Moisture sensitive
[EPA Substance Registry System]

Acetic acid, 2,2-difluoro-2-(fluorosulfonyl)-, methyl ester (680-15-9)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)
GHS02,GHS05
[Signal word ]

Danger
[Hazard statements ]

H226-H314
[Precautionary statements ]

P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

C,Xi
[Risk Statements ]

R10:Flammable.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 2920 8/PG 2
[WGK Germany ]

3
[F ]

10-21
[Hazard Note ]

Irritant
[TSCA ]

No
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29159000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow liquid
[Uses]

Efficient reagent for the trifluoromethylation of aryls and difluorocyclopropanation of alkenes.
[reaction suitability]

reaction type: click chemistry
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate(680-15-9)MS
Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate(680-15-9)1HNMR
Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate(680-15-9)13CNMR
Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate(680-15-9)IR1
Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate(680-15-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

680-15-9(sigmaaldrich)
[TCI AMERICA]

Methyl Fluorosulfonyldifluoroacetate,>97.0%(GC)(680-15-9)
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