| Identification | Back Directory | [Name]
3-(2-PYRIDYL)-3-OXOPROPANENITRILE | [CAS]
54123-21-6 | [Synonyms]
Oxopyridinylpropanenitrile
b-oxo-2-Pyridinepropanenitrile
2-Pyridinepropanenitrile, β-oxo-
Beta-oxo-2-pyridinepropanenitrile
3-(2-PYRIDYL)-3-OXOPROPANENITRILE
3-OXO-3-(2-PYRIDYL)PROPANENITRILE
3-OXO-2-PYRIDIN-3-YL-PROPIONITRILE
3-oxo-3-pyridin-2-yl-propionatrile
3-Oxo-3-pyridin-2-ylpropanenitrile
3-OXO-3-PYRIDIN-2-YL-PROPIONITRILE
-Oxo-3-(2-pyridinyl)propanenitrile
-Oxo-3-(2-pyridinyl)propanenitrile
3-OXO-3-(2-PYRIDINYL)PROPANENITRILE
3-oxo-3-(yridine-2-yl)propanenitrile
2-Pyridinepropanenitrile, .beta.-oxo-
3-oxo-3-(pyridine-2-yl)propanenitrile
3-Oxo-3-(pyridin-2-yl)propanenitrile 95%
2-(Cyanoacetyl)pyridine, 2-(2-Cyanoethanoyl)pyridine | [Molecular Formula]
C8H6N2O | [MDL Number]
MFCD06656806 | [MOL File]
54123-21-6.mol | [Molecular Weight]
146.15 |
| Chemical Properties | Back Directory | [Melting point ]
97-99°C | [Boiling point ]
312.7±22.0 °C(Predicted) | [density ]
1.177±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
6.05±0.10(Predicted) | [Appearance]
Brown to black Solid |
| Hazard Information | Back Directory | [Synthesis]
Preparation of Intermediate 35 [General Procedure 14]: Intermediate 34 (3 g, 19.6 mmol) and acetonitrile (0.8 mL, 19.6 mmol, 1 equiv) were dissolved in toluene (10 mL) under dry conditions. This solution was slowly added to a mixture of sodium hydride (784 mg, 19.6 mmol, 1 equiv, 60% mineral oil dispersion) pre-suspended in toluene (50 mL) and the reaction temperature was maintained at 65 °C. The reaction mixture was stirred continuously at 65°C for 16 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched with ice-cold water (20 mL). The resulting solid was collected by filtration to afford Intermediate 35 (1.5 g, 53% yield) as a brown solid. The product was characterized by 1H NMR (CDCl3): δ 8.70 (d, J = 4.8Hz, 1H), 8.12 (d, J = 7.5Hz, 1H), 7.90-7.94 (m, 1H), 7.56-7.60 (m, 1H), 4.41 (s, 2H). Mass spectrometry analysis showed a molecular ion peak [M + H]+ of 147. Thin layer chromatography (TLC) analysis was performed with ethyl acetate as the unfolding agent and an Rf value of 0.40. | [References]
[1] Tetrahedron Letters, 2006, vol. 47, # 15, p. 2531 - 2534
[2] Patent: WO2011/126903, 2011, A2. Location in patent: Page/Page column 100
[3] Patent: WO2014/145986, 2014, A1. Location in patent: Paragraph 0267; 0268
[4] Patent: US2017/326125, 2017, A1. Location in patent: Paragraph 0406-0408
[5] Patent: US2014/179676, 2014, A1. Location in patent: Paragraph 0898; 0908 |
|
|