680-15-9
methyl fluorosulphonyldifluoroacetate
CAS: 680-15-9
Molecular Formula: C3H3F3O4S
680-15-9 - Names and Identifiers
680-15-9 - Physico-chemical Properties
| Molecular Formula | C3H3F3O4S |
| Molar Mass | 192.11 |
| Density | 1.509g/mLat 25°C(lit.) |
| Boling Point | 117-118°C(lit.) |
| Flash Point | 118°F |
| Vapor Presure | 1170mmHg at 25°C |
| Appearance | liquid |
| Specific Gravity | 1.52 |
| Color | colorless to yellow |
| BRN | 1812896 |
| Storage Condition | 2-8°C(protect from light) |
| Sensitive | Sensitive to humidity |
| Refractive Index | n20/D 1.351(lit.) |
| MDL | MFCD00144316 |
| Use | Trifluoromethylation for haloalkanes |
680-15-9 - Risk and Safety
| Risk Codes | R10 - Flammable R34 - Causes burns |
| Safety Description | 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 the label whenever possible.) S16 - Keep away from sources of ignition. |
| UN IDs | UN 2920 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | No |
| HS Code | 29159000 |
| Hazard Note | Irritant |
| Hazard Class | 3.2 |
| Packing Group | III |
680-15-9 - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | methyl fluorosulfonyl difluoroacetate is an organic intermediate, it can be prepared by one-step reaction of Tetrafluoroethane-β-sultone with methanol. It has been reported to be useful in the preparation of the intermediates 5-chloro-2-fluoro-4-(trifluoromethyl) aniline hydrochloride and 3-chloro-6-trifluoromethylpyridazine. |
| Application | methyl fluorosulfonyl difluoroacetate can be used as a pharmaceutical synthesis intermediate. |
| Application examples | may be used for the preparation of 3-chloro-6-trifluoromethylpyridazine. Under the protection of nitrogen, add 1mol of 3-chloro-6-iodopyridazine, 1mol of methyl fluorosulfonyl difluoroacetate, 0.1mol of copper iodide and [1,1 '-bis (diphenylphosphine) ferrocene] Palladium dichloride dichloromethane complex 0.1mol, dilute hydrofluoric acid (DHF)100ml, stirred and heated to 90 °c for 20h, after extraction with ethyl acetate and recrystallization, 0.8mol of 3-chloro-6-trifluoromethylpyridazine was obtained in a yield of 80%. |
| preparation | an oven-dried 1000-mL three-necked round-bottom flask was equipped with a magnetic stir bar, an additional constant-pressure funnel, and an air outlet. Connect the gas outlet to an empty 500 ml spare trap and then to the inverted glass funnel outlet located directly above the 1000 mL beaker, the Beaker contained 600g NaOH in 120 of water. Anhydrous methanol (160 g) was added to the flask. Tetrafluoroethane-β-sultone (440g) was added dropwise to the mixture through an addition funnel with stirring. The mixture was cooled with an ice bath for 3 hours. After the addition was complete, the reaction mixture was gradually warmed to room temperature. The mixture was stirred at room temperature overnight. After blowing with nitrogen for 1 hour to completely remove the HF remaining in the system, the resulting reaction mixture was washed with water (2 x 400 mL) and brine (2 x 400 mL), to remove residual methanol. The organic phase was collected. The organic phase was dried over anhydrous sodium sulfate. After filtration, the crude product was purified by distillation. |
Last Update：2024-04-10 22:29:15
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