2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol

Base Information

• Chemical Name: 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
• CAS No.: 79349-24-9
• Molecular Formula: C14H10N2O2
• Molecular Weight: 238.246
• European Community (EC) Number: 868-490-6
• DSSTox Substance ID: DTXSID60425235
• Nikkaji Number: J874.080A
• Wikidata: Q82238026
• Pharos Ligand ID: YVR8MG4DZ23G
• ChEMBL ID: CHEMBL1876217
• Mol file: 79349-24-9.mol

Synonyms:79349-24-9;2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol;5-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole;CHEMBL1876217;Phenol, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-;ChemDiv3_002096;Cambridge id 5347279;SCHEMBL5736756;DTXSID60425235;HMS1478P06;BDBM50576851;CCG-17961;AKOS000591629;IDI1_021062;MLS-0437530.0002;AB00081894-01;EN300-1212409;BRD-K53863652-001-01-1

Chemical Property of 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 238.074227566
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O

Technology Process of 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol

There total 15 articles about 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol 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: 98.0%

2-phenyl-4-oxo-1,3-benzoxazine perchlorate (55424-93-6) → 5-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole (79349-24-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In acetic acid; Heating;

DOI:10.1007/BF00767011

Reference yield: 98.0%

O-salicylbenzamidoxime (134817-09-7) → 5-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole (79349-24-9)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 22h; Heating;

DOI:10.1021/j100170a031

Reference yield: 78.0%

benzonitrile oxide (873-67-6) + salicylonitrile (611-20-1) → 5-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole (79349-24-9)

Guidance literature:

In dichloromethane; for 24h; Ambient temperature;

DOI:10.1016/0040-4020(96)00359-6

upstream raw materials:

2-phenyl-4-oxo-1,3-benzoxazine perchlorate

N-hydroxyl-benzamidine

salicylaldehyde

O-salicylbenzamidoxime

Downstream raw materials:

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

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

bis[5-(2-oxyphenyl)-3-phenyl-1,2,4-oxadiazolyl]copper(II)