| Identification | Back Directory | [Name]
1,4,6-Triazaindene | [CAS]
272-50-4 | [Synonyms]
1,4,6-Triazaindene
5H-Pyrrolo[3,2-d]pyriMidi...
5H-Pyrrolo[3,2-d]pyrimidine (7CI,8CI,9CI) | [Molecular Formula]
C6H5N3 | [MDL Number]
MFCD09834826 | [MOL File]
272-50-4.mol | [Molecular Weight]
119.12 |
| Chemical Properties | Back Directory | [Melting point ]
175 °C (decomp) | [Boiling point ]
288.3±13.0 °C(Predicted) | [density ]
1.348±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
13.16±0.10(Predicted) | [Appearance]
Off-white to light brown Solid |
| Hazard Information | Back Directory | [Synthesis]
2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine (6.6 g, 35.3 mmol) was used as starting material and dissolved in ethanol (200 mL). Subsequently, sodium bicarbonate (2.96 g) and 10% carbon-loaded palladium catalyst (0.66 g) were added to the solution. The reaction mixture was stirred at room temperature for 3 hours under hydrogen atmosphere. After completion of the reaction, the catalyst was removed by filtration and the filtrate was adsorbed on silica gel. Purification was carried out by fast column chromatography and 2-chloro-5H-pyrrolo[3,2-d]pyrimidine (3.3 g, 61% yield) was isolated using chloroform/methanol (4:1, v/v) as eluent. In addition, the by-product 5H-pyrrolo[3,2-d]pyrimidine (1.5 g) was recovered from the column. | [References]
[1] Patent: WO2009/62258, 2009, A1. Location in patent: Page/Page column 99 |
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