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

Base Information

• Chemical Name: 2-(3-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
• CAS No.: 79442-06-1
• Molecular Formula: C14H9 Cl N2 O
• Molecular Weight: 256.691
• NSC Number: 90298
• DSSTox Substance ID: DTXSID90293505
• Nikkaji Number: J2.101.672A
• Wikidata: Q82032284
• ChEMBL ID: CHEMBL1549430

Synonyms:2-(3-chlorophenyl)-5-phenyl-1,3,4-oxadiazole;79442-06-1;MLS000108072;1,3,4-Oxadiazole,2-(3-chlorophenyl)-5-phenyl-;SMR000104035;NSC90298;ST50169160;Cambridge id 5711914;cid_259755;CHEMBL1549430;REGID_for_CID_259755;BDBM48184;DTXSID90293505;HMS1582O17;HMS2163E24;HMS3310H02;NSC-90298;STK409425;AKOS001603912;PD095982;BB 0238710;AB00094380-01;AF-731/00082013;2-(3-Chloro-phenyl)-5-phenyl-[1,3,4]oxadiazo le;2-phenyl-5-(3-chlorophenyl)-1,3,4-oxadiazole (2d)

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

Chemical Property:

• Vapor Pressure: 1.06E-06mmHg at 25°C
• Boiling Point: 414.6°Cat760mmHg
• Flash Point: 204.5°C
• Density: 1.275g/cm³
• 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: 271

Purity/Quality:

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)Cl

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

There total 16 articles about 2-(3-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: 99.0%

benzoic acid hydrazide (613-94-5) + 4-(m-chloro-α-methylthiobenzylidene)morpholinium iodide (76591-84-9) → phenyl-2 (chloro-3 phenyl)-5 oxadiazole-1,3,4 (79442-06-1)

Guidance literature:

In pyridine; for 16h; Ambient temperature;

Reference yield: 91.64%

N’-(3-chlorophenylmethylene)benzohydrazide (39575-05-8) → phenyl-2 (chloro-3 phenyl)-5 oxadiazole-1,3,4 (79442-06-1)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In dichloromethane; for 2h;

DOI:10.1016/j.bioorg.2016.05.003

Reference yield: 90.0%

Benzoic acid [1-(3-chloro-phenyl)-meth-(E)-ylidene]-hydrazide → phenyl-2 (chloro-3 phenyl)-5 oxadiazole-1,3,4 (79442-06-1)

Guidance literature:

With potassium permanganate; In water; acetone; for 0.2h; microwave irradiation;

DOI:10.1016/j.tetlet.2004.09.095

upstream raw materials:

5-(m-chlorophenyl)tetrazole

benzoyl chloride

benzoic acid anhydride

3-chloro-benzoic acid benzylidenehydrazide

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