| Identification | More | [Name]
3,4-Dimethylisoxazol-5-amine | [CAS]
19947-75-2 | [Synonyms]
3,4-DIMETHYLISOXAZOL-5-AMINE
5-AMINO-3,4-DIMETHYLISOXAZOLE
5-Isoxazolamine, 3,4-dimethyl-
3,4-dimethylisoxazol-5-ylamine
3,4-Dimethyl-5-isoxazolamine | [EINECS(EC#)]
243-437-4 | [Molecular Formula]
C5H8N2O | [MDL Number]
MFCD00046081 | [Molecular Weight]
112.13 | [MOL File]
19947-75-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to Off-White Cyrstalline Solid | [Melting point ]
118-122 °C(lit.) | [Boiling point ]
246.0±35.0 °C(Predicted) | [density ]
1.118±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
DMSO, Methanol | [form ]
Solid | [pka]
-0.24±0.50(Predicted) | [color ]
White to Off-White | [BRN ]
108546 | [InChI]
InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3 | [InChIKey]
PYNDWPFZDQONDV-UHFFFAOYSA-N | [SMILES]
O1C(N)=C(C)C(C)=N1 | [CAS DataBase Reference]
19947-75-2(CAS DataBase Reference) | [NIST Chemistry Reference]
5-Amino-3,4-dimethyl-isoxazole(19947-75-2) |
| 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 .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
2934999090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to Off-White Cyrstalline Solid | [Uses]
5-amino-3,4-dimethylisoxazole formed complexes with cobalt(II) and copper(II). The kinetics of gas-phase thermal isomerization of 5-amino-3,4-dimethylisoxazole was studied. | [General Description]
5-amino-3,4-dimethylisoxazole formed complexes with cobalt(II) and copper(II). The kinetics of gas-phase thermal isomerization of 5-amino-3,4-dimethylisoxazole was studied. | [Synthesis]
General procedure for the synthesis of 3,4-dimethylisoxazol-5-amine using 2-methyl-3-oxobutanenitrile as starting material: 2-methyl-3-oxobutanenitrile (9.7 g, 0.1 mol), hydroxylamine hydrochloride (7 g, 0.1 mol), and water (20 mL) were mixed, followed by the slow dropwise addition of NaOH aqueous solution (4 g dissolved in 10 mL of water) at 40 °C. After the dropwise addition, the reaction mixture was heated to reflux for 3 hours. After completion of the reaction, it was cooled to room temperature and phase separation was carried out. After the organic layer was allowed to stand overnight, filtration afforded the white crystalline product 3,4-dimethylisoxazol-5-amine (3.66 g, yield 32.7%) with a melting point of 123-125 °C. | [References]
[1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 15, p. 4661 - 4667
[2] Pharmaceutical bulletin, 1954, vol. 2, # 1, p. 62 - 64
[3] Yakugaku Zasshi, 1951, vol. 71, p. 1356,1358
[4] Chem.Abstr., 1952, p. 8036
[5] Yakugaku Zasshi, 1951, vol. 71, p. 1356,1358 |
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