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

Base Information

• Chemical Name: 2-(4-Bromophenyl)-1,3,4-oxadiazole
• CAS No.: 41420-90-0
• Molecular Formula: C8H5BrN2O
• Molecular Weight: 225.044
• Hs Code.: 2934999090
• European Community (EC) Number: 629-920-6
• DSSTox Substance ID: DTXSID10351954
• Nikkaji Number: J2.423.042B
• Wikidata: Q82128808
• Mol file: 41420-90-0.mol

Synonyms:2-(4-bromophenyl)-1,3,4-oxadiazole;41420-90-0;2-(4-Bromo-phenyl)-[1,3,4]oxadiazole;1,3,4-Oxadiazole, 2-(4-bromophenyl)-;Cambridge id 5522464;SCHEMBL1194538;DTXSID10351954;HMS1582M12;MFCD00491614;ODZ100080;STK408134;AKOS000175706;2-(4-bromopbenyl)-1,3,4-oxadiazole;AM10375;AS-8553;AT32982;BB 0238204;CS-0192282;FT-0660248;2-(4-Bromophenyl)-1,3,4-oxadiazole, 97%;EN300-79251;AB00087190-01;AP-263/05728014;Z55670794;F1018-0255

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

Chemical Property:

• Vapor Pressure: 0.0017mmHg at 25°C
• Melting Point: 142-147°C
• Boiling Point: 303.1oC at 760 mmHg
• PKA: -4.67±0.32(Predicted)
• Flash Point: 137.1oC
• PSA: 38.92000
• Density: 1.605g/cm3
• LogP: 2.49910
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.95853
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Bromophenyl)-1,3,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=CO2)Br

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

There total 16 articles about 2-(4-Bromophenyl)-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%

4-Bromobenzoic acid (586-76-5) + N-isocyaniminotriphenylphosphorane (73789-56-7) → 2-(4-bromophenyl)-1,3,4-oxadiazole (41420-90-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.166667h; Time; Sonication;

DOI:10.1016/j.ultsonch.2013.06.009

Reference yield: 93.0%

4-bromobenzoic acid hydrazide (5933-32-4) + trimethyl orthoformate (149-73-5) → 2-(4-bromophenyl)-1,3,4-oxadiazole (41420-90-0)

Guidance literature:

With Al³⁺-K₁₀ montmorillonite clay; In neat (no solvent); at 55 ℃; for 0.25h; Microwave irradiation;

DOI:10.1016/j.tetlet.2014.05.004

Reference yield: 89.9%

orthoformic acid triethyl ester (122-51-0) + 4-bromobenzoic acid hydrazide (5933-32-4) → 2-(4-bromophenyl)-1,3,4-oxadiazole (41420-90-0)

Guidance literature:

With sulfuric acid; In industrial methylated spirit; for 1h; Heating / reflux;

upstream raw materials:

orthoformic acid triethyl ester

4-bromobenzoic acid hydrazide

4-methoxycarbonylphenyl bromide

trimethyl orthoformate

Downstream raw materials:

N-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-4'-(1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-2-sulfonamide

4-(5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl)morpholine

[4-(1,3,4-oxadiazol-2-yl) phenyl]boronic acid