Ethyl bromodifluoroa
ethyl bromodifluoroacetate
CAS: 667-27-6
Molecular Formula: C4H5BrF2O2
Ethyl bromodifluoroa - Names and Identifiers
Ethyl bromodifluoroa - Physico-chemical Properties
| Molecular Formula | C4H5BrF2O2 |
| Molar Mass | 202.98 |
| Density | 1.583 g/mL at 25 °C (lit.) |
| Boling Point | 112 °C/700 mmHg (lit.) |
| Flash Point | 70°F |
| Solubility | Soluble in most organic solvents. |
| Vapor Presure | 271.673mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.583 |
| Color | Clear colorless to slightly yellow |
| BRN | 1906095 |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Refractive Index | n20/D 1.387(lit.) |
| Physical and Chemical Properties | Boiling point 112 degrees C, density 1.583. |
Ethyl bromodifluoroa - Risk and Safety
| Risk Codes | R10 - Flammable R34 - Causes burns R36 - Irritating to the eyes |
| 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. S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 2924 3/PG 2 |
| WGK Germany | 3 |
| TSCA | No |
| HS Code | 29159000 |
| Hazard Note | Irritant/Flammable |
| Hazard Class | 3 |
| Packing Group | II |
Ethyl bromodifluoroa - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Introduction | ethyl difluorobromoacetate belongs to Ester Derivatives and can be used as pharmaceutical intermediates. |
| Application | The difluorobromoethyl acetate compound is an intermediate for the synthesis of drugs and high-energy materials, such as ethyl difluorobromoacetate, which is an intermediate for the antitumor drug gemcitabine. |
| preparation method | step 1, preparation of difluorobromoacetonitrile from difluorodibromomethane 90g of cuprous cyanide powder was added to 500 of 1:1 (volume ratio) N,N-dimethylformamide (DMF)/ethylene glycol dimethyl ether (DME). Mixed solvent, and add 1G catalyst dibenzo -18-crown -6, slowly add a molar amount of difluoro dibromomethane dissolved in DMF/DME (volume ratio 1:1) the mixed solution was monitored by GC (Column: PEG-20M) after half an hour of reaction at a temperature of 20 ° C. Until the conversion was 80%. The temperature was slowly increased to 50 ° C., The difluorobromoacetonitrile was distilled off, and the difluorobromoacetonitrile was collected at low temperature through a cold well below 0 ° C. Fig. Step 2. Preparation of difluorobromoacetic acid ethyl ester from difluorobromoacetonitrile 78g (0.5mol) of difluorobromoacetonitrile are dissolved in 400 of 95% (mass fraction, the same below) ethanol solution, add 10 ml of 50% (mass fraction, the same below) sulfuric acid solution, heat to 30 ℃, heat preservation and stirring for 10 hours, slowly heat reflux for 5 hours, through rectification, with GC (capillary column: PEG-20M), the appropriate fractions were collected and 60.5g of ethyl difluorobromoacetate were obtained. The purity of the product was 99.0%. |
Last Update：2024-04-10 22:29:15
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