| Identification | Back Directory | [Name]
6-chloro-1H-pyrazolo[3,4-b]pyridine | [CAS]
63725-51-9 | [Synonyms]
6-chloro-1H-pyrazolo[3
7-Aza-6-chloro-1H-indazole
6-Chloro-1H-pyrazolo[3,4-...
6-Chlor-1H-pyrazolo<3,4-b>pyridin
6-chloro-1H-pyrazolo[3,4-b]pyridine
1H-Pyrazolo[3,4-b]pyridine, 6-chloro-
6-Chloro-1H-pyrazolo[3,4-b]pyridine 98% | [Molecular Formula]
C6H4ClN3 | [MDL Number]
MFCD09832900 | [MOL File]
63725-51-9.mol | [Molecular Weight]
153.57 |
| Chemical Properties | Back Directory | [Boiling point ]
262℃ | [density ]
1.61 | [Fp ]
113℃ | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
solid | [pka]
5.20±0.40(Predicted) | [color ]
Yellow-brown | [InChI]
InChI=1S/C6H4ClN3/c7-5-2-1-4-3-8-10-6(4)9-5/h1-3H,(H,8,9,10) | [InChIKey]
NWYLBGYCSAJFCB-UHFFFAOYSA-N | [SMILES]
C12NN=CC1=CC=C(Cl)N=2 |
| Hazard Information | Back Directory | [Synthesis]
GENERAL STEPS: To a solution of tetrahydrofuran (THF, 30 mL) containing 6-chloro-2-fluoropyridine-3-carbaldehyde (4.0 g, 25.1 mmol) was added hydrazine hydrate (2.515 g, 56.3 mmol). The reaction mixture was heated at 60 °C with stirring for 5 hours. Upon completion of the reaction, the mixture was concentrated and quenched with ice water. The solid formed was collected by filtration and dried under vacuum to afford 6-chloro-1hydro-pyrazolo[3,4-B]pyridine (3.5 g, 92% yield). The product was characterized by 1H NMR (DMSO-d6, 300 MHz): δ 13.8 (s, 1H), 8.32-8.29 (d, 1H), 8.20 (s, 1H), 7.27-7.24 (d, 1H). the LCMS analysis showed a purity of 89.96%, m/z = 153.9 (M + 1). | [References]
[1] Patent: WO2017/9798, 2017, A1. Location in patent: Page/Page column 66 |
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