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

Base Information

• Chemical Name: 5-Phenyl-1,2-oxazol-3-amine
• CAS No.: 6455-31-8
• Molecular Formula: C9H8 N2 O
• Molecular Weight: 160.175
• Hs Code.: 2934999090
• European Community (EC) Number: 809-685-8
• Nikkaji Number: J81.223D
• ChEMBL ID: CHEMBL3276961
• Mol file: 6455-31-8.mol

Synonyms:5-phenylisoxazol-3-amine;5-phenyl-1,2-oxazol-3-amine;6455-31-8;3-amino-5-phenylisoxazole;3-Isoxazolamine, 5-phenyl-;3-Amino-5-phenylisoxazol;5-phenyl-3-aminoisoxazole;5-phenyl-isoxazol-3-ylamine;SCHEMBL1013006;CHEMBL3276961;YZEWHEPWBIADPY-UHFFFAOYSA-N;MFCD00956896;5-Phenylisoxazol-3-amine, AldrichCPR;AKOS012111187;BS-13712;CS-0104853;EN300-65565;D76491;Z1020945160

Chemical Property of 5-Phenyl-1,2-oxazol-3-amine

Chemical Property:

• Melting Point: 139-139.5 °C
• Boiling Point: 379.3±30.0 °C(Predicted)
• PKA: 2.02±0.10(Predicted)
• PSA: 52.78000
• Density: 1.204±0.06 g/cm3(Predicted)
• LogP: 1.85390
• XLogP3: 2.2
• 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:

97% ^*data from raw suppliers

5-Phenylisoxazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NO2)N

Technology Process of 5-Phenyl-1,2-oxazol-3-amine

There total 17 articles about 5-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: 92.9%

N-(5-phenyl-3-isoxazolyl)phthalimide (71854-39-2) → 3-amino-5-phenylisoxazole (6455-31-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2.5h; Heating;

DOI:10.1248/cpb.32.530

Reference yield: 68.0%

Benzoylacetonitrile (614-16-4) → 3-amino-5-phenylisoxazole (6455-31-8)

Guidance literature:

Benzoylacetonitrile; With hydroxylamine hydrochloride; water; sodium hydroxide; In ethanol; at 80 ℃;

With hydrogenchloride; In ethanol; at 80 ℃; for 2h;

Reference yield: 65.0%

3-Phenyl-2-propynonitrile (935-02-4) → 3-amino-5-phenylisoxazole (6455-31-8) + 3-phenyl-isoxazol-5-ylamine (4369-55-5)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; for 6h; Heating;

upstream raw materials:

α,β-dibromo-β-phenylpropionitrile

N-hydroxy-3-oxo-3-phenyl-propionamidine

β-bromocinnamonitrile

3-Phenyl-2-propynonitrile

Downstream raw materials:

(5-phenyl-isoxazol-3-yl)-[3-(5-phenyl-isoxazol-3-ylamino)-allylidene]-amine

3-acetamido-5-phenyl-isoxazole

(4-methoxy-benzylidene)-(5-phenyl-isoxazol-3-yl)-amine

(5-phenyl-isoxazol-3-yl)-carbamic acid methyl ester