2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole

Base Information

• Chemical Name: 2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole
• CAS No.: 2491-90-9
• Molecular Formula: C14H8 Cl2 N2 O
• Molecular Weight: 291.136
• Hs Code.: 2934999090
• European Community (EC) Number: 219-658-7
• DSSTox Substance ID: DTXSID50179619
• Nikkaji Number: J191.981D
• Wikidata: Q83050146
• Mol file: 2491-90-9.mol

Synonyms:2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole;2491-90-9;EINECS 219-658-7;1,3,4-Oxadiazole, 2,5-bis(4-chlorophenyl)-;HMS1528L15;Maybridge4_002721;2,5-bis-(4-Chlorophenyl)-1,3,4-oxadiazole;SCHEMBL21887193;DTXSID50179619;CCG-53871;STK367135;AKOS000733270;IDI1_032599;2,5-di(4-chlorophenyl)-1,3,4-oxadiazole;2,5-Di-(4-chlorphenyl)-1,3,4-oxadiazol;SR-01000643004-1;BRD-K03569719-001-01-6

Chemical Property of 2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 4.58E-07mmHg at 25°C
• Boiling Point: 425.9°Cat760mmHg
• Flash Point: 211.4°C
• PSA: 38.92000
• Density: 1.365g/cm³
• LogP: 4.71040
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 290.0013683
• Heavy Atom Count: 19
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole ^*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)Cl)Cl

Technology Process of 2,5-Bis(4-chlorophenyl)-1,3,4-oxadiazole

There total 19 articles about 2,5-Bis(4-chlorophenyl)-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: 98.6%

para-chlorobenzoic acid (74-11-3) → 2,5-bis(4-chlorophenyl)-1,3,4-oxadiazole (2491-90-9)

Guidance literature:

With hydrazine dihydrochloride; phosphoric acid; trichlorophosphate; In water; at 140 ℃; for 2h;

DOI:10.1002/jhet.5570360433

Reference yield: 98.0%

4,5-dichloro-2-(4-chloro-benzoyl)-2H-pyridazin-3-one (450408-66-9) → 2,5-bis(4-chlorophenyl)-1,3,4-oxadiazole (2491-90-9)

Guidance literature:

4,5-dichloro-2-(4-chloro-benzoyl)-2H-pyridazin-3-one; With hydrazine hydrate; In tetrahydrofuran; Heating;

With PPA; In tetrahydrofuran; at 130 ℃; for 3h;

DOI:10.1055/s-2003-37647

Reference yield: 95.0%

N'-(4-chlorobenzylidene)-4-chlorobenzohydrazide (23289-03-4) → 2,5-bis(4-chlorophenyl)-1,3,4-oxadiazole (2491-90-9)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; at 25 ℃;

upstream raw materials:

N,N'-bis(p-chlorobenzoyl)hydrazine

N'-(4-chlorobenzylidene)-4-chlorobenzohydrazide

4-chloro-benzoyl chloride

4-chlorobenzoic acid hydrazide

Downstream raw materials:

N'-benzoylbenzohydrazide

1,3-dimethyl-5-benzoylpyrimidine-2,4(1H,3H)-dione

5-(4-Chlorbenzoyl)-1,3-dimethyluracil-(4-chlorbenzoyl)hydrazon

benzoic acid

Refernces

• 1、 Bajaj, Shalini,Kumar, Maushmi S.,Tinwala, Hussain,YC, Mayur. "Design, synthesis, modelling studies and biological evaluation of 1,3,4-oxadiazole derivatives as potent anticancer agents targeting thymidine phosphorylase enzyme". . . Retrieved 2021/04/12.
• 2、 More, Priyanka Anant,Gadilohar, Balu Laxman,Shankarling, Ganapati Subray. "In situ generated cetyltrimethylammonium bisulphate in choline chloride-urea deep eutectic solvent: A novel catalytic system for one pot synthesis of 1,3,4-oxadiazole". . p. 1393 - 1398. Retrieved 2014/08/18.