3,6-dibromopyrazin-2-amine
- CAS NO.:957230-70-5
- Empirical Formula: C4H3Br2N3
- Molecular Weight: 252.89
- MDL number: MFCD11040377
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-16 09:52:37
What is 3,6-dibromopyrazin-2-amine?
The Uses of 3,6-dibromopyrazin-2-amine
It is used as a pharmaceutical intermediate.
Synthesis
Diphenylphosphoryl azide (488 mg, 1.77 mmol) and triethylamine (180 mg, 1.77 mmol) were added to a solution of the acid (500 mg, 1.77 mmol) in tert-butanol (12 mL). The reaction mixture was stirred at reflux for 18 h and then quenched with water. The volatiles were removed under reduced pressure. The residue was dissolved in 4:1 TFA/DCM (5 mL) and stirred at rt for 1 h. The volatiles were removed under reduced pressure. The residue was dissolved in DCM and washed with 1N aq. NaOH. The combined organic extracts were dried (Na2SO4), filtered and concentrated. The crude residue was purified by SiO2 chromatography eluting with an EtOAc/hexane gradient to afford 3,6-dibromopyrazin-2-amine 120 mg (27%) of bromoanisol as a colorless oil. MS m/z (ES): 253 (M+H)+.
Properties of 3,6-dibromopyrazin-2-amine
| Boiling point: | 314℃ |
| Density | 2.287 |
| Flash point: | 144℃ |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 0.05±0.10(Predicted) |
| Water Solubility | Slightly soluble in water. |
| InChI | InChI=1S/C4H3Br2N3/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,7,9) |
Safety information for 3,6-dibromopyrazin-2-amine
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3,6-dibromopyrazin-2-amine
| InChIKey | ZEDFFSRZLCREEN-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(Br)=CN=C1Br |
3,6-dibromopyrazin-2-amine manufacturer
SAKEM LLP
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