4-Phenyl-1,2-oxazol-3-amine

Base Information

• Chemical Name: 4-Phenyl-1,2-oxazol-3-amine
• CAS No.: 182424-34-6
• Molecular Formula: C9H8 N2 O
• Molecular Weight: 160.17
• European Community (EC) Number: 825-774-4
• Mol file: 182424-34-6.mol

Synonyms:4-phenyl-1,2-oxazol-3-amine;182424-34-6;4-Phenylisoxazol-3-amine;3-Isoxazolamine,4-phenyl-(9CI);4-phenylisoxazol-3-ylamine;SCHEMBL2797055;JVFGZGKZJRXLPV-UHFFFAOYSA-N;AKOS013497543;CS-0225797;EN300-124960

Chemical Property of 4-Phenyl-1,2-oxazol-3-amine

Chemical Property:

• Boiling Point: 335.0±30.0 °C(Predicted)
• PKA: 1.49±0.10(Predicted)
• PSA: 52.05000
• Density: 1.204±0.06 g/cm3(Predicted)
• LogP: 2.50500
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

(4-PHENYLISOXAZOL-3-YL)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CON=C2N

Technology Process of 4-Phenyl-1,2-oxazol-3-amine

There total 2 articles about 4-Phenyl-1,2-oxazol-3-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: 82.0%

N-(4-phenylisoxazol-3-yl)hydroxylamine (182424-31-3) → 3-amino-4-phenyl isoxazole (182424-34-6)

Guidance literature:

With aluminium amalgam; water; In diethyl ether; for 6h; Heating;

DOI:10.1016/0223-5234(96)85884-3

Reference yield:

3-nitro-4-phenylisoxazole (155088-51-0) → 3-amino-4-phenyl isoxazole (182424-34-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O, Al-Hg / diethyl ether / 1 h / Heating

2: 82 percent / H₂O, Al-Hg / diethyl ether / 6 h / Heating

With aluminium amalgam; water; In diethyl ether;

DOI:10.1016/0223-5234(96)85884-3

Reference yield:

diethylamine (109-89-7) + 3-amino-4-phenyl isoxazole (182424-34-6) → 3,3-diethyl-1-(4-phenylisoxazol-3-yl)triazene

Guidance literature:

With hydrogenchloride; sodium nitrite; Yield given. Multistep reaction; 1.) AcOH, 0 deg C, 15 min, 2.) AcOH, 0 deg C, 30 min;

DOI:10.1016/0223-5234(96)85884-3

upstream raw materials:

N-(4-phenylisoxazol-3-yl)hydroxylamine

3-nitro-4-phenylisoxazole