2-(4-Bromophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-(4-Bromophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
• CAS No.: 62507-55-5
• Molecular Formula: C14H8BrN3O3
• Molecular Weight: 346.14
• DSSTox Substance ID: DTXSID50359111
• Wikidata: Q82140137

Synonyms:2-(4-bromophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole;62507-55-5;DTXSID50359111;STK292544;AKOS003237197;BB 0238721;2-(4-Bromo-phenyl)-5-(4-nitro-phenyl)-[1,3,4] oxadiazole

Chemical Property of 2-(4-Bromophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Chemical Property:

• PSA: 84.74000
• LogP: 4.59750
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 344.97490
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

2-(4-BROMOPHENYL)-5-(4-NITROPHENYL)-1,3,4-OXADIAZOLE 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=NN=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Technology Process of 2-(4-Bromophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

There total 9 articles about 2-(4-Bromophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole 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: 96.0%

1-bromo-4-(2H-tetrazol-5-yl)benzene (50907-23-8) + 4-nitro-benzoyl chloride (122-04-3) → 5-(p-bromophenyl)-2-(p-nitrophenyl)-1,3,4-oxadiazole (62507-55-5)

Guidance literature:

In pyridine; for 72h; Heating;

DOI:10.1021/ma0107206

Reference yield: 86.0%

1-(p-bromobenzoyl)-2-(p-nitrobenzoyl)hydrazine (96237-95-5) → 5-(p-bromophenyl)-2-(p-nitrophenyl)-1,3,4-oxadiazole (62507-55-5)

Guidance literature:

With pyridine; thionyl chloride; for 2h; Heating;

Reference yield: 85.7%

4-bromobenzoic acid hydrazide (5933-32-4) + 4-nitro-benzoic acid (62-23-7) → 5-(p-bromophenyl)-2-(p-nitrophenyl)-1,3,4-oxadiazole (62507-55-5)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 12h;

DOI:10.1016/j.molliq.2021.115443

upstream raw materials:

1-(p-bromobenzoyl)-2-(p-nitrobenzoyl)hydrazine

2-(4-nitrophenyl)-5-phenyl-1,3,4-oxadiazole

1-bromo-4-(2H-tetrazol-5-yl)benzene

4-nitro-benzoyl chloride

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