Product Details of [ 28938-17-2 ]
| CAS No. : | 28938-17-2 | MDL No. : | MFCD26383581 |
| Formula : | C3H3Br2N3 | Boiling Point : | – |
| Linear Structure Formula : | – | InChI Key : | – |
| M.W : | 240.88 | Pubchem ID : | 21820752 |
| Synonyms : | |||
Computed Properties of [ 28938-17-2 ]
| TPSA :Topological Polar Surface Area | 30.7 | H-Bond Acceptor Count : | 2 |
| XLogP3 : | 2.3 | H-Bond Donor Count : | 0 |
| SP3 : | 0.33 | Rotatable Bond Count : | 0 |
Safety of [ 28938-17-2 ]
| Signal Word: | Warning | Class | N/A |
| Precautionary Statements: | P261-P305 P351 P338 | UN#: | N/A |
| Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
| GHS Pictogram: | |||
Application In Synthesis of [ 28938-17-2 ]
- Upstream synthesis route of [ 28938-17-2 ]
- Downstream synthetic route of [ 28938-17-2 ]
[ 28938-17-2 ] Synthesis Path-Upstream 1~5
- 1
- [ 22300-52-3 ]
- [ 74-88-4 ]
- [ 28938-17-2 ]
- [ 25537-64-8 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 57% | With potassium carbonate In tetrahydrofuran at -10 – 40℃; | The 10.0g (44.1mmol) 4,5- dibromo -2H-1,2,3- triazole (commercially available) was dissolved in 90ml of tetrahydrofuran was added 6.1g (44.2mmol) of potassium carbonate, cooled to -10 , was added 7.5g (53mmol) of methyl iodide.In the 35 ~ 40 to react until the reaction is complete.50ml of water was added, the tetrahydrofuran was distilled off, 90ml and extracted with methyl tert-butyl ether, dried over anhydrous magnesium sulfate, and concentrated to dryness under reduced pressure, the residual solid was added methyl tert-butyl ether, 10ml, 70ml of n-hexane was added slowly, solid precipitation, the addition was completed, stirring at room temperature for 1 to 2 hours.Filtered to give pure 4,5-dibromo-1-methyl -1H-1,2,3- triazole 5.8g, 57percent yield. |