157911-56-3
2,4,5-trifluorobenzyl bromide
CAS: 157911-56-3
Molecular Formula: C7H4BrF3
157911-56-3 - Names and Identifiers
157911-56-3 - Physico-chemical Properties
| Molecular Formula | C7H4BrF3 |
| Molar Mass | 225.01 |
| Density | 1.71 |
| Boling Point | 188.8±35.0 °C(Predicted) |
| Flash Point | 75.4°C |
| Vapor Presure | 0.814mmHg at 25°C |
| Specific Gravity | 1.71 |
| BRN | 8312091 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Lachrymatory |
| Refractive Index | 1.5015 |
157911-56-3 - Risk and Safety
| Risk Codes | R34 - Causes burns R36 - Irritating to the eyes R25 - Toxic 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.) S23 - Do not breathe vapour. S20 - When using, do not eat or drink. |
| UN IDs | 1760 |
| TSCA | T |
| HS Code | 29039990 |
| Hazard Note | Corrosive/Lachrymatory |
| Hazard Class | 8 |
| Packing Group | II |
157911-56-3 - Reference Information
| introduction | 2,4, 5-trifluorobenzyl bromide is an important intermediate in the synthesis of sitagliptin. Citagliptin is the first dipeptidyl peptidase-IV(DPP-IV) inhibitor developed by Merck. It was approved by FDA in 2006 for the treatment of non-insulin-dependent (type II) diabetes. Using 1,2, 4-trifluorobenzene as raw material through bromomethylation to produce 2,4, 5-trifluorobenzyl bromide, this route has more three wastes, requires the use of highly toxic cyanide, and the process has certain safety hazards. |
| Application | 2,4, 5-trifluorobenzyl bromide is a hydrocarbon derivative, mainly used as a pharmaceutical intermediate. |
| preparation | hydrochloric acid is put into a reaction bottle, paraformaldehyde and sodium bromide are added at low temperature, 1,2, 4-trifluorobenzene is added dropwise at normal temperature to control the dropping acceleration and finish within several hours; Raise the temperature to the set temperature and keep the temperature for several hours. Put the crushed ice into the diluent bottle, put it into the reaction liquid, control the temperature <60 ℃, and stratify at rest; Take the organic layer and treat it with dilute acid; The organic layer is neutralized with sodium carbonate solution and stratified at rest. The organic layer is rectified to obtain benzyl bromide. The yield is 85% and the mass fraction is more than 99%. |
Last Update：2024-04-09 21:01:54
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