| Identification | More | [Name]
1H-PYRAZOLO[4,3-B]PYRIDINE | [CAS]
272-52-6 | [Synonyms]
1H-PYRAZOLO[4,3-B]PYRIDINE
PYRAZOLOPYRIDINE | [Molecular Formula]
C6H5N3 | [MDL Number]
MFCD08234560 | [Molecular Weight]
119.12 | [MOL File]
272-52-6.mol |
| Chemical Properties | Back Directory | [Boiling point ]
294.5±13.0 °C(Predicted) | [density ]
1.348±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
Solid | [pka]
10.94±0.30(Predicted) | [Appearance]
Off-white to light yellow Solid | [InChI]
InChI=1S/C6H5N3/c1-2-5-6(7-3-1)4-8-9-5/h1-4H,(H,8,9) | [InChIKey]
AMFYRKOUWBAGHV-UHFFFAOYSA-N | [SMILES]
C12C=NNC1=CC=CN=2 | [CAS DataBase Reference]
272-52-6(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Synthesis]
1-(1H-pyrazolo[4,3-b]pyridin-1-yl)ethanone (973 mg, 6.04 mmol) was used as a raw material, which was dissolved in a solvent mixture of THF/MeOH (1:1, 16 mL). 10% NaOH aqueous solution (1.8 mL) was added. The reaction mixture was stirred at room temperature for 30 min, followed by neutralization of the reaction solution with 1.0 M HCl, dilution with water and extraction with EtOAc (2×). The organic phases were combined, washed with brine, dried over MgSO4 and concentrated to give 687 mg (96% yield) of 1H-pyrazolo[4,3-b]pyridine as a light yellow solid.1H NMR (DMSO-d6, 300 MHz) δ (ppm): 13.29 (br.s, 1H), 8.50 (d, J = 4.5 Hz, 1H), 8.27 (s , 1H), 8.00 (d, J = 8.7 Hz, 1H), 7.34 (dd, J = 8.7, 4.5 Hz, 1H). | [References]
[1] Patent: WO2013/30138, 2013, A1. Location in patent: Page/Page column 253
[2] Patent: EP1510516, 2005, A1. Location in patent: Page/Page column 135 |
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