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

Base Information

• Chemical Name: 2-(3-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
• CAS No.: 83817-44-1
• Molecular Formula: C14H9 Br N2 O
• Molecular Weight: 301.142
• Hs Code.: 2934999090
• European Community (EC) Number: 280-946-0
• NSC Number: 88154
• DSSTox Substance ID: DTXSID50232697
• Nikkaji Number: J307.976G
• Wikidata: Q83113786
• ChEMBL ID: CHEMBL1604833
• Mol file: 83817-44-1.mol

Synonyms:2-(3-Bromophenyl)-5-phenyl-1,3,4-oxadiazole;83817-44-1;EINECS 280-946-0;NSC88154;CBMicro_028878;Cambridge id 5724061;2-(3-Bromo-phenyl)-5-phenyl-[1,3,4]oxadiazole;MLS000061257;REGID_for_CID_96737;SCHEMBL4651918;CHEMBL1604833;DTXSID50232697;HMS2349K23;CCG-15874;NSC 88154;NSC-88154;STK388615;AKOS000742124;SMR000070126;BIM-0029071.P001;E85532;AB00094705-01;A843204;AK-918/40723537;SR-01000414318;SR-01000414318-1;5724-06-1

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

Chemical Property:

• Vapor Pressure: 3.43E-07mmHg at 25°C
• Melting Point: 163-165 °C(Solv: ethanol (64-17-5))
• Boiling Point: 429.8°C at 760 mmHg
• PKA: -5.41±0.32(Predicted)
• Flash Point: 213.7°C
• PSA: 38.92000
• Density: 1.465g/cm³
• LogP: 4.16610
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 299.98983
• Heavy Atom Count: 18
• Complexity: 271

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)Br

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

There total 11 articles about 2-(3-Bromophenyl)-5-phenyl-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: 81.0%

3-bromo-benzoic acid hydrazide (39115-96-3) + Benzoylformic acid (611-73-4) → 2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole (83817-44-1)

Guidance literature:

With tetrabutylammonium acetate; In methanol; at 20 ℃; for 3h; Electrochemical reaction; Inert atmosphere;

DOI:10.1002/ejoc.202000311

Reference yield: 80.0%

3-bromo-benzoic acid hydrazide (39115-96-3) + triethoxymethylbenzene (1663-61-2) → 2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole (83817-44-1)

Guidance literature:

With ammonium chloride; In ethanol; for 3h; Reflux;

DOI:10.1016/j.tetlet.2014.10.028

Reference yield: 78.0%

C14H11BrN2O (298230-74-7) → 2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole (83817-44-1)

Guidance literature:

With 2,4,6-tris[(4-dichloroiodo)phenoxy]-1,3,5-triazine; In dichloromethane; at 20 ℃;

DOI:10.1055/s-0033-1339495

upstream raw materials:

benzoic acid hydrazide

5-Phenyl-1H-tetrazole

3-bromobenzoyl chloride

1-benzoyl-2-(3-bromobenzoyl)hydrazine

Downstream raw materials:

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

2-[3-(carbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[(3-dibenzothiophen-4-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

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