| Identification | Back Directory | [Name]
4,6-DICHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE | [CAS]
42754-96-1 | [Synonyms]
SKL327
6-Dichloro-1H-pyrazolo[3
4,6-dichloropyrrolo[2,3-d]pyrimidine
4,6-Dichloropyrazolo[3,4-d]pyriMidine
4,6-dichloro-1H-pyrazolo[3,4-d]pP03119ine
4,6-Dichloro-1H-pyrazole[3,4-D]pyriMidine
4,6-DICHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE
4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine
1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-
4,6-DICHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE(RS20012005) | [EINECS(EC#)]
948-193-9 | [Molecular Formula]
C5H2Cl2N4 | [MDL Number]
MFCD09835493 | [MOL File]
42754-96-1.mol | [Molecular Weight]
189 |
| Chemical Properties | Back Directory | [Melting point ]
145 °C (decomp) | [Boiling point ]
251.9±50.0 °C(Predicted) | [density ]
2.02±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
solid | [pka]
7.90±0.20(Predicted) | [color ]
Off-white to yellow | [InChI]
InChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11) | [InChIKey]
CTYPROOLWJDUTA-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC(Cl)=C2C=NNC2=N1 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow solid | [Synthesis]
To a solution of 2,4,6-trichloropyrimidine-5-carbaldehyde (19.0 g, 990 mmol) in methanol (300 mL) was added drop-wise a solution of hydrazine monohydrate (4.8 mL) in methanol (80 mL) at 0 °C followed by drop-wise addition of triethylamine (13 mL) in methanol (80 mL) at 0 °C. The mixture was stirred at the same temperature for 30 mm. The solvent was removed, and the residue was purified by flash chromatography to afford 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (10.3 g, 62 % yield) as a yellow solid. ‘H NMR (CDC13, 400IVIHz): 11.56 (br, 1H), 8.43 (s, 1H). MS m/z 190.68 [M+1].
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