5-(3-Nitrophenyl)isoxazole

Base Information

• Chemical Name: 5-(3-Nitrophenyl)isoxazole
• CAS No.: 126633-02-1
• Molecular Formula: C₉H₆N₂O₃
• Molecular Weight: 190.158
• Mol file: 126633-02-1.mol

Synonyms:5-(3-Nitrophenyl)isoxazole;126633-02-1;5-(3-nitrophenyl)-1,2-oxazole;5-(3-nitro-phenyl)-isoxazole;SCHEMBL20507168;BFA63302;MFCD02183546;AKOS006229207;5-(3-Nitrophenyl)isoxazole, AldrichCPR;EN300-233085

Chemical Property of 5-(3-Nitrophenyl)isoxazole

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.03784206
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NO2

Technology Process of 5-(3-Nitrophenyl)isoxazole

There total 1 articles about 5-(3-Nitrophenyl)isoxazole 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:

5-phenylisoxazole (1006-67-3) → 5-(3-nitrophenyl)isoxazole (126633-02-1) + 5-(4-nitrophenyl)isoxazole (3383-42-4)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield: 90.0%

5-(3-nitrophenyl)isoxazole (126633-02-1) → 5-(3-nitrophenyl)-1H-pyrazol-3-amine (142338-69-0)

Guidance literature:

5-(3-nitrophenyl)isoxazole; With potassium hydroxide; In ethanol; water; at 50 ℃; for 0.5h; Sealed tube;

With hydrazine; In tetrahydrofuran; ethanol; water; acetic acid; at 60 ℃; for 2.5h;

DOI:10.1055/s-0035-1561861

Reference yield: 86.0%

5-(3-nitrophenyl)isoxazole (126633-02-1) + tert-butylhydrazine (32064-67-8) → 1-tert-butyl-3-(3-nitrophenyl)-1H-pyrazol-5-amine

Guidance literature:

In dimethyl sulfoxide; at 90 ℃; for 15h; Sealed tube;

DOI:10.1055/s-0035-1561861

upstream raw materials:

5-phenylisoxazole

Downstream raw materials:

5-(3-nitrophenyl)-1H-pyrazol-3-amine