| Identification | More | [Name]
5-AMINO-3-METHYLISOXAZOLE | [CAS]
14678-02-5 | [Synonyms]
3-METHYLISOXAZOL-5-AMINE
3-METHYL-ISOXAZOL-5-YLAMINE
5-AMINO-3-METHYLISOXAZOLE
AKOS PAO-1620
BUTTPARK 94\04-02
TIMTEC-BB SBB006539
3-methyl-5-isoxazolamin
3-Methyl-5-isoxazolamine
5-Isoxazolamine, 3-methyl-
5-Amino-3-methylisoxazole, 98+% | [EINECS(EC#)]
238-719-9 | [Molecular Formula]
C4H6N2O | [MDL Number]
MFCD00003151 | [Molecular Weight]
98.1 | [MOL File]
14678-02-5.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow to orange-brown crystalline powder | [Melting point ]
85-87 °C(lit.) | [Boiling point ]
231.3±20.0℃ (760 Torr) | [density ]
1.167±0.06 g/cm3 (20 ºC 760 Torr) | [refractive index ]
1.4327 (estimate) | [Fp ]
93.7±21.8℃ | [storage temp. ]
Keep Cold | [solubility ]
Chloroform, Methanol (Slightly) | [form ]
Crystalline Powder and Chunks | [pka]
-0.59±0.50(Predicted) | [color ]
Yellow to orange-brown | [λmax]
242nm(MeOH)(lit.) | [BRN ]
107906 | [InChI]
1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3 | [InChIKey]
FNXYWHTZDAVRTB-UHFFFAOYSA-N | [SMILES]
Cc1cc(N)on1 | [CAS DataBase Reference]
14678-02-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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
| [HazardClass ]
KEEP COLD | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow to orange-brown crystalline powder | [Uses]
5-Amino-3-methylisoxazole is a widely used reactant. 5-Amino-3-methylisoxazole has been used as a reactant for the preparation of heterocycle fused pyridinecarboxylic acids. | [General Description]
5-Amino-3-methylisoxazole reacts with α,β-unsaturated ketones to yield the corresponding isoxazolo[5,4-b]pyridines. | [Synthesis]
Example 10 Preparation of 3-methyl-5-aminoisoxazole (STR35): hydroxylamine hydrochloride (34.81 g, 0.50 mol) was dissolved in 100 mL of water and the solution was cooled in an ice bath for 10 minutes. Subsequently, 3-aminocrotononitrile (48.30 g, 85% purity, 0.50 mol) was added in batches over 10 min. After stirring for 30 minutes, the solution was observed to turn orange and a solid precipitated. The solid was collected by filtration and recrystallized from benzene to give the final white solid product 3-methyl-5-aminoisoxazole (30.98 g, 63.2% yield) with a melting point ranging from 77°C to 79°C. The solid was collected by filtration and recrystallized from benzene to give the final white solid product 3-methyl-5-aminoisoxazole (30.98 g, 63.2% yield). | [References]
[1] Patent: US5252538, 1993, A |
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