2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol

Base Information

• Chemical Name: 2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
• CAS No.: 65483-96-7
• Molecular Formula: C15H13N3O
• Molecular Weight: 251.288
• DSSTox Substance ID: DTXSID40425374
• Wikidata: Q82238217
• ChEMBL ID: CHEMBL1503645

Synonyms:2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol;65483-96-7;2-(5-METHYL-2-PHENYL-1,2,4-TRIAZOL-3-YL)PHENOL;MLS000550983;ChemDiv2_000536;Oprea1_085862;CHEMBL1503645;SCHEMBL14132969;2-(5-Methyl-2-phenyl-2H-[1,2,4]triazol-3-yl)-phenol;DTXSID40425374;Phenol, 2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)-;HMS1370I08;HMS2175N16;STK054669;AKOS003662244;SMR000145111;AE-848/30690001;Z57177790;1-phenyl-3-methyl-5-(o-hydroxyphenyl)-1,2,4-triazole

Chemical Property of 2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.105862047
• Heavy Atom Count: 19
• Complexity: 293

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=N1)C2=CC=CC=C2O)C3=CC=CC=C3

Technology Process of 2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol

There total 4 articles about 2-(3-methyl-1-phenyl-1H-1,2,4-triazol-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: 95.0%

2-methyl-4-oxo-4H-benzo[e][1,3]oxazinium perchlorate (54789-70-7) + phenylhydrazine (100-63-0) → 2-[1-(phenyl-2-yl)-3-methyl-1,2,4-triazol-5-yl]phenol (65483-96-7)

Guidance literature:

In acetic acid; Heating; absence of solvent, 77percent;

Reference yield: 60.0%

salacetamide (487-48-9) + phenylhydrazine (100-63-0) → 2-[1-(phenyl-2-yl)-3-methyl-1,2,4-triazol-5-yl]phenol (65483-96-7)

Guidance literature:

In acetic acid; for 2h; Heating;

Reference yield:

acetic anhydride (108-24-7) + phenylhydrazine (100-63-0) + salicylamide (65-45-2) → 2-[1-(phenyl-2-yl)-3-methyl-1,2,4-triazol-5-yl]phenol (65483-96-7)

Guidance literature:

With perchloric acid;

DOI:10.1016/j.poly.2019.03.044

upstream raw materials:

salacetamide

phenylhydrazine

2-methyl-4-oxo-4H-benzo[e][1,3]oxazinium perchlorate

acetic anhydride

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