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14678-02-5

14678-02-5 Structure

14678-02-5 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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]

TIMTEC-BB SBB002655

870-64-4

5-AMINO-3-METHYLISOXAZOLE

14678-02-5

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
Spectrum DetailBack Directory
[Spectrum Detail]

5-AMINO-3-METHYLISOXAZOLE(14678-02-5)1HNMR
5-AMINO-3-METHYLISOXAZOLE(14678-02-5)FT-IR
5-AMINO-3-METHYLISOXAZOLE(14678-02-5)IR
5-AMINO-3-METHYLISOXAZOLE(14678-02-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Amino-3-methylisoxazole, 98%(14678-02-5)
[Alfa Aesar]

5-Amino-3-methylisoxazole, 98+%(14678-02-5)
[Sigma Aldrich]

14678-02-5(sigmaaldrich)
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