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| | 3-Oxo-3-(3-pyridinyl)propanenitrile Basic information |
| Product Name: | 3-Oxo-3-(3-pyridinyl)propanenitrile | | Synonyms: | 3-OXO-3-PYRIDIN-3-YL-PROPIONITRILE;3-Oxo-3-pyridin-3-ylpropanenitrile;Beta-oxo-3-Pyridinepropanenitrile;3-oxo-3-(yridine-3-yl)propanenitrile;b-oxo-3-Pyridinepropanenitrile;3-Pyridinepropanenitrile, .beta.-oxo-;3-Pyridinepropanenitrile, β-oxo-;3-oxo-3-(pyridine-3-yl)propanenitrile | | CAS: | 30510-18-0 | | MF: | C8H6N2O | | MW: | 146.15 | | EINECS: | | | Product Categories: | Pyridines | | Mol File: | 30510-18-0.mol |  |
| | 3-Oxo-3-(3-pyridinyl)propanenitrile Chemical Properties |
| 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 Codes | Xi | | HazardClass | IRRITANT | | HS Code | 2933399990 |
| | 3-Oxo-3-(3-pyridinyl)propanenitrile Usage And Synthesis |
| 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 |
| | 3-Oxo-3-(3-pyridinyl)propanenitrile Preparation Products And Raw materials |
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