5-Methylisoxazol-4-amine

Base Information

• Chemical Name: 5-Methylisoxazol-4-amine
• CAS No.: 87988-94-1
• Molecular Formula: C4H6N2O
• Molecular Weight: 98.1044
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40515825
• Nikkaji Number: J982.103A
• Wikidata: Q82376917
• Mol file: 87988-94-1.mol

Synonyms:5-METHYLISOXAZOL-4-AMINE;87988-94-1;5-METHYL-1,2-OXAZOL-4-AMINE;4-AMINO-5-METHYLISOXAZOLE;MFCD11848435;4-Isoxazolamine, 5-methyl-;5-Methyl-4-amino-isoxazole;5-METHYL-4-ISOXAZOLAMINE;DTXSID40515825;QGMHRTDVNDXDBB-UHFFFAOYSA-N;AKOS006337788;MB10128;AS-58139;SY233710;CS-0153493;FT-0768919;EN300-78586;D82481

Chemical Property of 5-Methylisoxazol-4-amine

Chemical Property:

• Melting Point: 170-173 °C
• Boiling Point: 231.8±20.0 °C(Predicted)
• PKA: 1.73±0.10(Predicted)
• PSA: 52.05000
• Density: 1.167±0.06 g/cm3(Predicted)
• LogP: 1.14640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.048012819
• Heavy Atom Count: 7
• Complexity: 66.7

Purity/Quality:

98%min ^*data from raw suppliers

5-Methylisoxazol-4-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=NO1)N

Technology Process of 5-Methylisoxazol-4-amine

There total 1 articles about 5-Methylisoxazol-4-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-(5-methyl-4-isoxazolyl)-4-amino-1,2-naphthoquinone → 4-amino-5-methylisoxazole (87988-94-1) + 2-hydroxynaphtho-1,4-quinone (83-72-7)

Guidance literature:

With hydrogenchloride; In water; at 35 ℃; Rate constant; Mechanism; t₉₀, t_1/2, pH 0.65 - 7.50, further reagents;

DOI:10.1002/jps.2600831018

Reference yield: 83.0%

4-amino-5-methylisoxazole (87988-94-1) + benzaldehyde (100-52-7) → 4-(benzylamino)-5-methylisoxazole (742021-43-8)

Guidance literature:

With sodium cyanoborohydride;

DOI:10.1016/S0040-4039(00)98654-4

Reference yield: 64.0%

4-amino-5-methylisoxazole (87988-94-1) + phenyl chloroformate (1885-14-9) → phenyl (5-methylisoxazol-4-yl)carbamate (1190843-60-7)

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 - 20 ℃;

Downstream raw materials:

4-amino-N-(5-methyl-isoxazol-4-yl)-benzenesulfonamide

4-(benzylamino)-5-methylisoxazole

α-acetyldiazoacetonitrile

4-azido-5-methylisoxazole