5-Bromo-3-(4-nitrophenyl)-1,2-oxazole

Base Information

• Chemical Name: 5-Bromo-3-(4-nitrophenyl)-1,2-oxazole
• CAS No.: 142598-84-3
• Molecular Formula: C9H5BrN2O3
• Molecular Weight: 269.054
• DSSTox Substance ID: DTXSID80576177
• Nikkaji Number: J3.491.774D
• Wikidata: Q82465736
• Mol file: 142598-84-3.mol

Synonyms:5-Bromo-3-(4-nitrophenyl)-1,2-oxazole;142598-84-3;5-bromo-3-(4-nitrophenyl)isoxazole;SCHEMBL19403807;DTXSID80576177;5-bromo-3-(4-nitrophenyl)-isoxazole

Chemical Property of 5-Bromo-3-(4-nitrophenyl)-1,2-oxazole

Chemical Property:

• PSA: 71.85000
• LogP: 3.53550
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 267.94835
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

5-BROMO-3-(4-NITROPHENYL)ISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NOC(=C2)Br)[N+](=O)[O-]

Technology Process of 5-Bromo-3-(4-nitrophenyl)-1,2-oxazole

There total 2 articles about 5-Bromo-3-(4-nitrophenyl)-1,2-oxazole 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: 85.0%

1,1-dibromo-2-(4-nitrophenyl)cyclopropane (70372-55-3) → 5-bromo-3-(4-nitrophenyl)isoxazole (142598-84-3)

Guidance literature:

With sulfuric acid; nitric acid; at -0.1 ℃;

DOI:10.1016/S0040-4039(00)79838-8

Reference yield: 50.0%

1,1-dibromo-2-(4-nitrophenyl)cyclopropane (70372-55-3) → 4,5-dibromo-3-(4-nitrophenyl)isoxazole + 5-bromo-3-(4-nitrophenyl)isoxazole (142598-84-3)

Guidance literature:

With adduct of nitrosyl chloride with sulfur trioxide; In nitromethane; at 20 ℃; for 2.5h; Concentration; Time;

DOI:10.1007/s11172-016-1439-3

Reference yield: 90.2%

morpholine (110-91-8,99108-56-2) + 5-bromo-3-(4-nitrophenyl)isoxazole (142598-84-3) → 5-morpholino-3-(4-nitrophenyl)isoxazole

Guidance literature:

In tetrahydrofuran; Heating;

upstream raw materials:

1,1-dibromo-2-(4-nitrophenyl)cyclopropane

Downstream raw materials:

3-(4-nitro-phenyl)-5-methylisoxazole