| Identification | Back Directory | [Name]
isoxazol-5-amine | [CAS]
14678-05-8 | [Synonyms]
5-AminoisoxazoL
isoxazol-5-amine
Einecs 238-720-4
Isoxazol-5-ylamine
1,2-Oxazol-5-amine
5-Isoxazolamine(9CI)
5-Amino-1,2-oxazole, Isoxazol-5-amine | [EINECS(EC#)]
238-720-4 | [Molecular Formula]
C3H4N2O | [MDL Number]
MFCD00128192 | [MOL File]
14678-05-8.mol | [Molecular Weight]
84.0767 |
| Chemical Properties | Back Directory | [Melting point ]
75-77 °C | [Boiling point ]
234.7±13.0 °C(Predicted) | [density ]
1.241±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
solid | [pka]
-1.23±0.50(Predicted) | [color ]
White to cream | [InChI]
InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2 | [InChIKey]
IAXWZYXUKABJAN-UHFFFAOYSA-N | [SMILES]
O1C(N)=CC=N1 | [EPA Substance Registry System]
5-Isoxazolamine (14678-05-8) |
| Hazard Information | Back Directory | [Synthesis]
Propynonitrile (1.54 g, 30.2 mmol) was mixed with hydroxylamine hydrochloride (2.10 g, 30.2 mmol), 10% aqueous sodium hydroxide (12.1 mL, 30.2 mmol) and methanol (12 mL) and the reaction was stirred for 12 hours at 30 °C. After completion of the reaction, the reaction mixture was extracted with ethyl acetate. The organic phases were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The resulting crude product was purified by silica gel column chromatography (eluent: ethyl acetate) to afford the target compound 5-aminoisoxazole (760 mg, 29.9% yield) as solid.1H-NMR (CDCl3) δ: 4.51 (2H, br s), 5.11 (2H, d, J = 2.1 Hz), 7.96 (2H, d, J = 2.1 Hz). | [References]
[1] Patent: EP1813606, 2007, A1. Location in patent: Page/Page column 89 |
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