Ticagrelor Impurity 148
2-Chloro-1-(3,4-difluoro-phenyl)-ethanone
CAS: 51336-95-9
Molecular Formula: C8H5ClF2O
Ticagrelor Impurity 148 - Names and Identifiers
| Name | 2-Chloro-1-(3,4-difluoro-phenyl)-ethanone |
| Synonyms | 610-651-8 G1VR CF DF Fluconazole Impurity 6 Ticagrelor Impurity 148 3,4-Difluorophenacyl chloride a-Chloro-3,4-difluoroacetophenone 2-Chloro-3',4'-difluoroacetophenone 2-Chloro-4',5'-Difluoroacetophenone 2-Chloro-1-(3,4-difluorophenyl)ethanone 2-Chloro-1-(3,4-difluoro-phenyl)-ethanone 2-CHLORO-1-(3,4-DIFLUORO-PHENYL)-ETHANONE Ethanone,2-chloro-1-(3,4-difluorophenyl)- ethanone, 2-chloro-1-(3,4-difluorophenyl)- 2-Chloro-1-(3,4-difluorophenyl)ethan-1-one |
| CAS | 51336-95-9 |
| EINECS | 610-651-8 |
| InChI | InChI=1/C8H5ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2 |
Ticagrelor Impurity 148 - Physico-chemical Properties
| Molecular Formula | C8H5ClF2O |
| Molar Mass | 190.57 |
| Density | 1.353±0.06 g/cm3(Predicted) |
| Melting Point | 31-32 °C(Solv: ethanol (64-17-5); water (7732-18-5)) |
| Boling Point | 256.3±25.0 °C(Predicted) |
| Flash Point | 108.8°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.0155mmHg at 25°C |
| Appearance | Solid |
| Color | White to Light yellow |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Sensitive | Lachrymatory |
| Refractive Index | 1.495 |
| MDL | MFCD03966888 |
Ticagrelor Impurity 148 - Risk and Safety
| UN IDs | UN 3261 8/PG II |
| Hazard Class | IRRITANT |
| Packing Group | II |
Ticagrelor Impurity 148 - Reference Information
| use | 2-chloro-1-(3, 4-difluorophenyl) ethanone is an important fine chemical intermediate, used in organic synthesis and pharmaceutical experimental research. |
| synthesis method | the preparation steps of 2-chloro -1-(3,4-difluorophenyl) ethanone are as follows: quickly weigh 10.2g of anhydrous aluminum trichloride (grind it into a dry four-mouth flask, immediately add 11.4mL of o-difluorobenzene (dried), install an electric stirrer at the middle mouth, and install thermometers at the side ports respectively, constant pressure dropping funnel (containing a certain amount of purified acetic anhydride, the upper part of the spherical condenser tube is connected with a drying tube equipped with anhydrous calcium chloride and a toxic gas absorption device (the absorption liquid is 5% NaOH solution), Under constant speed stirring, slowly drop acetic anhydride from the constant pressure dropping funnel, adjust the dropping acceleration, control the reaction temperature below 60 ℃, the temperature rises during the dropping process, and a large amount of white gas escapes, the color of the solution deepens, the solution is lavender glue after dropping. Heat the reflux reaction with an oil bath until no HCl gas escapes, and the solution becomes light brown. Remove the gas absorption device, after cooling, place the four-neck flask in a cold water bath, add a certain amount of ice water mixture under stirring, and dissolve all the solid substances (if not dissolved, add a small amount of concentrated hydrochloric acid dropwise). The reactants are transferred into a separatory funnel, and the organic layer is separated. The water layer is extracted twice with toluene. Finally, the toluene layer is combined. The toluene layer is washed with 5% NaOH solution and distilled water until the pH of the water layer is 7. The mixture of toluene and a small amount of water is removed by rotary evaporation and recovered, and the residual liquid is distilled under reduced pressure to collect the fraction at 125-126 ℃ under 25 mmHg (under normal pressure, the boiling point of 2-chloro-1-(3, 4-difluorophenyl) ethanone is 245~247 ℃), which is a brown oily liquid. |
Last Update：2024-04-09 02:00:09
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