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

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
• CAS No.: 1874-43-7
• Molecular Formula: C14H9ClN2O
• Molecular Weight: 256.691
• European Community (EC) Number: 683-567-2
• DSSTox Substance ID: DTXSID70357457
• Nikkaji Number: J309.020E
• Wikidata: Q82137366
• Mol file: 1874-43-7.mol

Synonyms:2-(4-chlorophenyl)-5-phenyl-1,3,4-oxadiazole;1874-43-7;CBMicro_020601;Cambridge id 5469217;DTXSID70357457;BDBM192663;CCG-8464;AKOS001263354;BIM-0020543.P001;BB 0238395;5-Phenyl-2-(p-chlorphenyl)-1,3,4-oxadiazol;2-phenyl-5-(4-chlorophenyl)-1,3,4-oxadiazole;SR-01000409791;2-(4-Chloro-phenyl)-5-phenyl-[1,3,4]oxadiazo le;SR-01000409791-1;2-phenyl-5-(4-chlorophenyl)-1,3,4-oxadiazole (2e);Z50150578

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

Chemical Property:

• PSA: 38.92000
• LogP: 4.05700
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.0403406
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

99% ^*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=C(C=C3)Cl

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

There total 45 articles about 2-(4-Chlorophenyl)-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: 97.2%

benzonitrile (100-47-0) + para-Chlorobenzyl alcohol (873-76-7) → 2-(4-chlorophenyl)-5-phenyl-1,3,4-oxadiazole (1874-43-7)

Guidance literature:

With ammonium cerium (IV) nitrate; tris(2,2'-bipyridyl)ruthenium dichloride; N,N,N,N,-tetramethylethylenediamine; tris(2,4-dimethylphenyl)phosphane; In 1,4-dioxane; benzene; at 85 ℃; for 9h; Reagent/catalyst; Solvent;

Reference yield: 95.0%

4-chlorobenzoic acid hydrazide (536-40-3) + triethoxymethylbenzene (1663-61-2) → 2-(4-chlorophenyl)-5-phenyl-1,3,4-oxadiazole (1874-43-7)

Guidance literature:

With potassium aluminum sulfate; at 100 ℃; for 6h;

DOI:10.1007/s00706-007-0724-0

Reference yield: 93.0%

benzoic acid (4-chlorobenzylidene)hydrazide (31061-79-7) → 2-(4-chlorophenyl)-5-phenyl-1,3,4-oxadiazole (1874-43-7)

Guidance literature:

With oxygen; copper(II) bis(trifluoromethanesulfonate); caesium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 14h;

DOI:10.1021/ol202409r

upstream raw materials:

N'-benzoyl-4′-chlorobenzohydrazide

4-chloro-benzoyl chloride

benzoic acid hydrazide

N-(phenylsulfonyl)benzohydrazonoyl chloride

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、 -. "COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME". Paragraph 0274-0277. . Retrieved 2021/01/29.