trans-1,4-dibromo-2-butene
trans-1,4-dibromo-2-butene
CAS: 821-06-7
Molecular Formula: C4H6Br2
trans-1,4-dibromo-2-butene - Names and Identifiers
| Name | trans-1,4-dibromo-2-butene |
| Synonyms | DBB trans-Dibromobutene 1,4-dibromo-, trans- 4-dibromo-(e)-2-buten 1,4-DIBROMO-2-PENTENE 1,4-Dibromo-2-butene, E (E)-1,4-Dibromo-2-butene (e)-1,4-dibromobut-2-ene Trans1butene4-dibroMo -2- (2E)-1,4-dibromobut-2-ene 1,4-trans-Dibromobutene-2 (2E)-1,4-Dibromo-2-butene trans-1,4-Dibromobut-2-ene trans-1,4-dibromo-2-butene Trans1,4-Dibromo-2-Butylene 2-Butene, 1,4-dibromo-, (2E)- 2-Butene, 1,4-dibromo-, trans- |
| CAS | 821-06-7 |
| EINECS | 212-472-7 |
| InChI | InChI=1/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+ |
| InChIKey | RMXLHIUHKIVPAB-OWOJBTEDSA-N |
trans-1,4-dibromo-2-butene - Physico-chemical Properties
| Molecular Formula | C4H6Br2 |
| Molar Mass | 213.9 |
| Density | 1.9393 (estimate) |
| Melting Point | 48-51°C(lit.) |
| Boling Point | 205°C(lit.) |
| Flash Point | 113°C |
| Water Solubility | slightly soluble |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Appearance | White crystal |
| Color | colorless to slightly brown |
| BRN | 1719696 |
| Storage Condition | 2-8°C |
| Stability | Light Sensitive |
| Refractive Index | 1.5361 (estimate) |
| MDL | MFCD00000249 |
| Physical and Chemical Properties | Melting Point 48-53°C boiling point 205°C flash point 113°C water-soluble easily soluble |
trans-1,4-dibromo-2-butene - Risk and Safety
| Risk Codes | R25 - Toxic if swallowed R34 - Causes burns R23/25 - Toxic by inhalation and if swallowed. |
| 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.) S28A - |
| UN IDs | UN 2923 8/PG 2 |
| WGK Germany | 2 |
| RTECS | EM4725000 |
| FLUKA BRAND F CODES | 8-19 |
| HS Code | 29033990 |
| Hazard Note | Toxic/Corrosive |
| Hazard Class | 6.1(b) |
| Packing Group | III |
trans-1,4-dibromo-2-butene - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 1, 4-dibromo-2-butene is a pharmaceutical intermediate, 4-dibromo-2-butene is a key intermediate in the synthesis of Rasilez (Aliskiren). Rasilez (Aliskiren) has a good clinical effect in the treatment of hypertension and chronic kidney disease, which has attracted the attention of major pharmaceutical companies. |
| preparation | 70.0G butadiene was added to ML dichloromethane, cooled to -10~10 °c, and 172.6g liquid bromine was added, the mixture was maintained at -5 to -15 ° C. And stirred for 5 hours. After completion of the reaction, the solvent was removed by atmospheric distillation to obtain 228.4G of crude solid. The crude product was subjected to distillation under reduced pressure, the degree of vacuum was controlled in the range of 1000Pa to 1500Pa, and the fraction in the range of 70 to 80 ° C. Was collected to obtain 187.5G of a white solid. 280ml of anhydrous ethanol was added to the above white solid, which was dissolved by heating to 70 ° C. Under stirring, and the precipitate was precipitated by cooling to room temperature. After filtration and drying, 168.7g of white solid was obtained, the overall yield was 73.1%. |
| Use | is useful as an intermediate in organic synthesis. |
Last Update：2024-04-09 21:32:08
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