3-methyl-5-aminoisoxazole
3-methylisoxazol-5-amine
CAS: 14678-02-5
Molecular Formula: C4H6N2O
3-methyl-5-aminoisoxazole - Names and Identifiers
| Name | 3-methylisoxazol-5-amine |
| Synonyms | AKOS PAO-1620 BUTTPARK 94 4-02 3-methyl-5-isoxazolamin 3-METHYLISOXAZOL-5-AMINE 3-Methyl-5-isoxazolamine 3-methylisoxazol-5-amine 5-AMINO-3-METHYLISOXAZOLE 5-Amino-3-Methylisoxazole 3-methyl-5-aminoisoxazole 5-Isoxazolamine, 3-methyl- 3-methyl-1,2-oxazol-5-amine 3-METHYL-ISOXAZOL-5-YLAMINE |
| CAS | 14678-02-5 |
| EINECS | 238-719-9 |
| InChI | InChI=1/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3 |
| InChIKey | FNXYWHTZDAVRTB-UHFFFAOYSA-N |
3-methyl-5-aminoisoxazole - Physico-chemical Properties
| Molecular Formula | C4H6N2O |
| Molar Mass | 98.1 |
| Density | 1.167±0.06 g/cm3 (20 ºC 760 Torr) |
| Melting Point | 85-87°C(lit.) |
| Boling Point | 231.3±20.0℃ (760 Torr) |
| Flash Point | 93.7±21.8℃ |
| Solubility | Chloroform, Methanol (Slightly) |
| Vapor Presure | 0.0629mmHg at 25°C |
| Appearance | Yellow to Orange-Brown Crystalline Powder |
| Color | Yellow to orange-brown |
| Maximum wavelength(λmax) | 242nm(MeOH)(lit.) |
| BRN | 107906 |
| pKa | -0.59±0.50(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Refractive Index | 1.4327 (estimate) |
| MDL | MFCD00003151 |
| Use | This product is for scientific research only and shall not be used for other purposes. |
3-methyl-5-aminoisoxazole - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29349990 |
| Hazard Class | KEEP COLD |
3-methyl-5-aminoisoxazole - Reference Information
| application | 3-methylisoxazol-5-amine is an organic intermediate, and it has been reported in the literature that it can be used to prepare HPK1 inhibitors and ERK inhibitors. |
| preparation | add 186.9g (2.69 mol) hydroxylamine hydrochloride, 150g (1.8 mol) 3-aminocrotononitrile, 30g (1% w/v)Fe3O4 @ SiO2 and 3 litres of water to the flask and stir overnight. After 12 hours of reaction, external barium ferrite magnets were used to remove the magnetic nanoparticles. The reaction mixture was alkalized to pH 10 using 25g of sodium carbonate. Filter the mixture, stir the solid with 600 ml of ether and filter. The obtained ether filtrate was combined with the aqueous filtrate and the ether layer was separated. The water layer was extracted with diethyl ether (2 × 300mL), the diethyl ether layer was dried with anhydrous MgSO4(125g), and the organic solvent was straped under vacuum, leaving a solid dried with KOH under vacuum. The solids are recrystallized from water, washed with cold water and dried. |
Last Update：2024-04-09 21:21:28
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