N-Allylmaleimide CAS#: 2973-17-3; ChemWhat Code: 221871
Identification
| Product Name | N-Allylmaleimide |
| IUPAC Name | 1-prop-2-enylpyrrole-2,5-dione |
| Molecular Structure |  |
| CAS Registry Number | 2973-17-3 |
| EINECS Number | No data available |
| MDL Number | MFCD00523374 |
| Beilstein Registry Number | No data available |
| Synonyms | N-allylmaleic imide, 1-(2-propenyl)-1H-pyrrole-2,5-dione, 1-allyl-1H-pyrrole-2,5-dione, N-Allylmaleic imide, N-allyl maleimide, N-allylmaleimide, N-allyl-maleimide |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| InChI | InChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h2-4H,1,5H2 |
| InChI Key | PSFDAYXWBWRTSM-UHFFFAOYSA-N |
| Canonical SMILES | C=CCN1C(=O)C=CC1=O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US5087705 | Process for preparation of N-substituted maleimides | 1992 |
Physical Data
| Appearance | White to off-white crystalline solid |
| Melting Point, °C | Solvent (Melting Point) |
| 58 – 60 | |
| 41 – 43 | |
| 44 – 46 | hexane |
| 43.5 – 45 | toluene |
| 42 – 44 | |
| 43 | |
| 52 – 53 | |
| 45 | ethanol |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 89 – 90 | 9 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 200 | |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 50 | |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 24.84 | 300 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 20 – 25 | 75.5 |
| Chemical shifts | 1H | chloroform-d1 | 400 | |
| Chemical shifts | 13C | chloroform-d1 | 100 | |
| Spectrum | 1H | chloroform-d1 | 400 | |
| Spin-spin coupling constants | CDCl3 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| ATR (attenuated total reflectance), Bands | ||
| Bands | potassium bromide | |
| ATR-FTIR (attenuated total reflectance Fourier transform infrared spectroscopy), Bands | potassium bromide | |
| Bands | CHCl3 | |
| Bands | KBr | 3000 – 1710 cm**(-1) |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
| electrospray ionisation (ESI), liquid chromatography mass spectrometry (LCMS), spectrum | |
| electron impact (EI), spectrum | |
| high resolution mass spectrometry (HRMS), CI (Chemical ionization), time-of-flight mass spectra (TOFMS), spectrum | |
| CI (Chemical ionization), spectrum | |
| EI (Electron impact), HRMS (High resolution mass spectrometry) | mol peak |
| spectrum, electron impact (EI) |
Route of Synthesis (ROS)
| Conditions | Yield |
| for 0.0333333h; Irradiation; | 82% |
| In acetic acid for 5h; Inert atmosphere; Reflux; | 70% |
| With acetic acid for 16h; Reflux; | 65% |
| Stage #1: maleic anhydride; 1-amino-2-propene In toluene for 2h; Reflux; Stage #2: With acetic acid In toluene for 5h; Reflux; | 31% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Use Pattern |
| N-Allylmaleimide CAS#: 2973-17-3 used as plastic additives. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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