| Identification | Back Directory | [Name]
2-chloro-5H-pyrrolo[2,3-b]pyrazine | [CAS]
889447-19-2 | [Synonyms]
2-chloro-5H-pyrrolo[2
2-Chloro-5H-pyrrolo[2,3-b...
2-chloro-5H-pyrrolo[2,3-b]pyrazine
2-chloro-5H-pyrrolo[3,2-b]pyrazine
5H-Pyrrolo[2,3-b]pyrazine, 2-chloro- | [Molecular Formula]
C6H4ClN3 | [MDL Number]
MFCD11518976 | [MOL File]
889447-19-2.mol | [Molecular Weight]
153.57 |
| Chemical Properties | Back Directory | [density ]
1.531±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
10.63±0.50(Predicted) | [Appearance]
yellow solid | [InChI]
InChI=1S/C6H4ClN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9) | [InChIKey]
RORAIVYFQFAIAF-UHFFFAOYSA-N | [SMILES]
C12NC=CC1=NC(Cl)=CN=2 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-chloro-5H-pyrrolo[2,3-b]pyrazine from 5-bromo-4,7-diazaindole: 2-bromo-5H-pyrrolo[2,3-b]pyrazine (3.1 g, 16 mmol) was dissolved in 1,4-dioxane (20 mL), and phosphorochloridic acid (2.27 mL, 24.1 mmol) was added. Subsequently, triethylamine (220 μL, 1.58 mmol) was added and the reaction was carried out at 110 °C for 6 hours. After completion of the reaction, the reaction mixture was dried with anhydrous sodium sulfate and concentrated. Purification by column chromatography (petroleum ether/ethyl acetate, v/v=2/1) gave 1.3 g of gray solid product in 54% yield. | [References]
[1] Patent: CN106336413, 2017, A. Location in patent: Paragraph 0379; 0380; 0381 |
|
|