| Identification | Back Directory | [Name]
5-Bromo-4,7-diazaindole | [CAS]
875781-43-4 | [Synonyms]
5-BROMO-4,7-DIAZAINDOLE
5-Bromo-4,7-diazaindole 97%
2-Bromo-5H-pyrrolo[2,3-b]pyrazine
5H-Pyrrolo[2,3-b]pyrazine, 2-bromo-
4H-Pyrrolo[2,3-b]pyrazine, 2-bromo-
2-broMo-5H-pyrrolo[2,3-b]pyrazine 2-broMo-5H-pyrrolo[3,2-b]pyrazine | [EINECS(EC#)]
1308068-626-2 | [Molecular Formula]
C6H4BrN3 | [MDL Number]
MFCD09834822
| [MOL File]
875781-43-4.mol | [Molecular Weight]
198.02 |
| Chemical Properties | Back Directory | [Boiling point ]
265 °C | [density ]
2.00 | [Fp ]
114 °C | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
yellow solid | [pka]
10.58±0.50(Predicted) | [Appearance]
Light yellow to brown Solid | [InChI]
InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9) | [InChIKey]
KTKMLXBEBKGQGL-UHFFFAOYSA-N | [SMILES]
C12NC=CC1=NC(Br)=CN=2 | [CAS DataBase Reference]
875781-43-4 |
| Hazard Information | Back Directory | [Synthesis]
Potassium tert-butoxide (3.70 g, 33.0 mmol) was dissolved in THF (80 mL) under N2 protection. A solution of 5-bromo-3 - ((trimethylsilyl) ethynyl) pyrazine-2-amino (9.00 g, 33.0 mmol) in THF (84 mL) was slowly added dropwise over 30 min. After the dropwise addition, the mixture was stirred at room temperature for 30 min, Reflux reaction 1h, Cooled to room temperature and filtered. The filter cake was washed with ethyl acetate (200 mL) and saturated brine (50 mL x 2), and the aqueous phase was combined. And extracted with ethyl acetate (60 mL x 2). The organic phases were combined. The residue was subjected to column chromatography (eluent: PE / EtOAc (v / v) = 3/1) to give 5-Bromo-4,7-diazaindole 5.0 g of a yellow solid. | [Toxicity evaluation]
5-Bromo-4,7-diazaindole has acute oral toxicity.
| [References]
[1] Patent: CN106432246, 2017, A. Location in patent: Paragraph 0543; 0544; 0545
[2] Patent: WO2011/149950, 2011, A2
[3] Patent: WO2012/158785, 2012, A1. Location in patent: Page/Page column 90
[4] Patent: WO2014/81732, 2014, A1. Location in patent: Page/Page column 32
[5] Patent: WO2014/85795, 2014, A1 |
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