| Identification | Back Directory | [Name]
3-OXO-3-(3-PYRIDINYL)PROPANENITRILE | [CAS]
30510-18-0 | [Synonyms]
b-oxo-3-Pyridinepropanenitrile
3-Pyridinepropanenitrile, β-oxo-
3-Oxo-3-(3-pyridyl)propanenitrile
Beta-oxo-3-Pyridinepropanenitrile
3-OXO-3-PYRIDIN-3-YL-PROPIONITRILE
3-Oxo-3-pyridin-3-ylpropanenitrile
3-OXO-3-(3-PYRIDINYL)PROPANENITRILE
3-oxo-3-(yridine-3-yl)propanenitrile
3-Pyridinepropanenitrile, .beta.-oxo-
3-oxo-3-(pyridine-3-yl)propanenitrile
3-OXO-3-(3-PYRIDINYL)PROPANENITRILE ISO 9001：2015 REACH
3-Oxo-3-pyridin-3-yl-propionitrile Oxopyridinylpropanenitrile | [Molecular Formula]
C8H6N2O | [MDL Number]
MFCD08282797 | [MOL File]
30510-18-0.mol | [Molecular Weight]
146.15 |
| Chemical Properties | Back Directory | [Melting point ]
79-81°C | [Boiling point ]
344.3±22.0 °C(Predicted) | [density ]
1.177±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [form ]
solid | [pka]
6.46±0.10(Predicted) | [color ]
Orange |
| Hazard Information | Back Directory | [Synthesis]
To a stirred solution of methyl nicotinate (XVIII; 8 g; 58 mmol) in toluene (110 mL) at 0 °C was slowly added sodium hydride (2.8 g; 110 mmol). The reaction mixture was kept stirred at 0 °C for 30 min, followed by dropwise addition of acetonitrile (12 g; 91 mmol). The reaction mixture was heated to reflux for 72 hours. After completion of the reaction, the mixture was cooled, concentrated under reduced pressure and diluted with ice-cold water. The pH of the reaction mixture was adjusted to acidic with glacial acetic acid. Subsequently, the aqueous layer was extracted with ethyl acetate (3 x 100 mL). The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3-oxo-3-(pyridin-3-yl)propanenitrile (XIX; 6 g, 70% yield) as a yellow solid. Mass spectrometry analysis showed [M-1]? peak at 145.01. | [References]
[1] Patent: WO2015/97122, 2015, A1. Location in patent: Page/Page column 81; 82
[2] Patent: WO2012/129258, 2012, A1. Location in patent: Page/Page column 150; 151 |
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