| Identification | More | [Name]
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine | [CAS]
5399-92-8 | [Synonyms]
4-CHLORO-1H-PYRAZOLO3,4-DPYRIMIDINE
AKOS BBS-00002106
IFLAB-BB F0909-0060
4-Chloropyrazolo[3,4-d]pyrimidine
NSC 4937
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro- | [EINECS(EC#)]
640-617-8 | [Molecular Formula]
C5H3ClN4 | [MDL Number]
MFCD03030404 | [Molecular Weight]
154.56 | [MOL File]
5399-92-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
>350?C | [Boiling point ]
224.6±50.0 °C(Predicted) | [density ]
1.84±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
DMSO (Slightly), Methanol (Slightly, Sonicated) | [form ]
Solid | [pka]
10.16±0.20(Predicted) | [color ]
Yellow to Orange | [Usage]
Has a SK channel blocker effect | [CAS DataBase Reference]
5399-92-8(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Yellow Solid | [Uses]
Has a SK channel blocker effect | [Synthesis]
Synthesis of compound 4.1. Hydrazine hydrate (11.5 mL, 23.7 mmol) was slowly added dropwise to a 1,4-dioxane solution (600 mL) containing 4,6-dichloro-5-pyrimidinecarboxaldehyde (40.0 g, 22.6 mmol) and triethylamine (30 mL, 22 mmol) under the cooling of an ice bath, and the temperature of the reaction was controlled to be no more than 20°C. The reaction temperature was controlled to be no higher than 20°C. After dropwise addition, the reaction mixture was gradually warmed to room temperature and stirring was continued for 1 hour. Upon completion of the reaction, the precipitate was collected by filtration. The filtrate was concentrated under reduced pressure to give compound 4.1 (29 g, 83% yield) in the form of a light yellow solid. The product was characterized by 1H NMR (400.13 MHz, DMSO-d6) and mass spectrometry: 1H NMR δ 14.52 (br.s, 1H), 8.83 (s, 1H), 8.45 (s, 1H); MS m/z 155 [M + 1]+. | [References]
[1] Patent: US2009/5359, 2009, A1. Location in patent: Page/Page column 18
[2] Patent: WO2008/153947, 2008, A2. Location in patent: Page/Page column 42; 63-64
[3] Molecules, 2017, vol. 22, # 4,
[4] Patent: CN106496232, 2017, A. Location in patent: Paragraph 0049; 0050; 0051; 0052
[5] Patent: CN107383014, 2017, A. Location in patent: Paragraph 0075; 0076; 0077; 0078 |
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