- 3-OXO-PENTANENITRILE
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- $3.00
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2020-02-05
- CAS:33279-01-5
- Min. Order: 1KG
- Purity: 98%
- Supply Ability: 100KG
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| | 3-OXO-PENTANENITRILE Basic information |
| Product Name: | 3-OXO-PENTANENITRILE | | Synonyms: | 3-OXO-PENTANENITRILE;3-OXOPENTANONITRILE;Propionylacetonitrile;Propanoylacetonitrile, 1-Cyanobutan-2-one;cyanoMethyl ethyl ketone;Pentanenitrile, 3-oxo- | | CAS: | 33279-01-5 | | MF: | C5H7NO | | MW: | 97.12 | | EINECS: | | | Product Categories: | | | Mol File: | 33279-01-5.mol |  |
| | 3-OXO-PENTANENITRILE Chemical Properties |
| Boiling point | 30°C | | density | 0.956±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | pka | 10.37±0.10(Predicted) | | Appearance | White to off-white Solid |
| Hazard Codes | T | | RIDADR | UN3276 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 2933599590 |
| Provider | Language |
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ALFA
| English |
| | 3-OXO-PENTANENITRILE Usage And Synthesis |
| Uses | A facile procedure for the high-yielding acylation of nitrile anions with unactivated esters to provide β-keto nitriles (Propionylacetonitrile) is reported. | | Synthesis | The general procedure for the synthesis of 3-oxopentanenitrile from ethyl propionate is as follows:
- Acetonitrile (1.17 mL) was slowly added dropwise to a stirred n-butyllithium solution (1.6 M hexane solution, 14.06 mL) at -78 °C and stirred at this temperature for 1 hour.
- Subsequently, ethyl propionate (1.5 mL) was added dropwise and the reaction mixture was slowly warmed to -45 °C, at which temperature stirring was continued for 2 hours.
- Upon completion of the reaction, the mixture was acidified to pH 2 with aqueous 2N hydrochloric acid and then concentrated by evaporation.
- The residue was extracted with dichloromethane and the combined organic phases were dried over magnesium sulfate, followed by evaporation of the solvent.
- 3-Oxopentanenitrile was finally obtained in 80% yield.
1H NMR (CDCl3) δ: 1.14 (t, 3H), 2.66 (q, 2H), 3.46 (s, 2H). | | References | [1] Patent: WO2007/99326, 2007, A1. Location in patent: Page/Page column 114
[2] Patent: WO2007/99335, 2007, A1. Location in patent: Page/Page column 96
[3] Patent: WO2007/99317, 2007, A1. Location in patent: Page/Page column 105
[4] Patent: US2002/32184, 2002, A1
[5] Patent: US2008/45496, 2008, A1. Location in patent: Page/Page column 15 |
| | 3-OXO-PENTANENITRILE Preparation Products And Raw materials |
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