2-(2-Methylphenyl)-5-phenyl-1,3,4-thiadiazole

Base Information

• Chemical Name: 2-(2-Methylphenyl)-5-phenyl-1,3,4-thiadiazole
• CAS No.: 17453-15-5
• Molecular Formula: C15H12N2S
• Molecular Weight: 252.34
• DSSTox Substance ID: DTXSID30496038
• Nikkaji Number: J3.127.550D
• Wikidata: Q82344599

Synonyms:17453-15-5;2-Phenyl-5-(o-tolyl)-1,3,4-thiadiazole;2-(2-Methylphenyl)-5-phenyl-1,3,4-thiadiazole;2-o-Methylphenyl-5-phenyl-1,3,4-thiadiazole;SCHEMBL11609747;DTXSID30496038;QKEWARKERGCIRH-UHFFFAOYSA-N

Chemical Property of 2-(2-Methylphenyl)-5-phenyl-1,3,4-thiadiazole

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.07211956
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=NN=C(S2)C3=CC=CC=C3

Technology Process of 2-(2-Methylphenyl)-5-phenyl-1,3,4-thiadiazole

There total 3 articles about 2-(2-Methylphenyl)-5-phenyl-1,3,4-thiadiazole 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: 76.0%

phenyl-1,3,4-thiadiazole (4291-14-9) + 2-methylphenyl bromide (95-46-5) → 2-phenyl-5-o-tolyl-1,3,4-thiadiazole (17453-15-5)

Guidance literature:

With copper(l) iodide; palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 105 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo301401q

Reference yield:

N-benzoyl-N'-2-methylbenzoylhydrazide (65349-09-9) → 2-phenyl-5-o-tolyl-1,3,4-thiadiazole (17453-15-5)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine; Heating;

DOI:10.1071/CH9772225

Reference yield:

→ 2-phenyl-5-o-tolyl-1,3,4-thiadiazole (17453-15-5)

Guidance literature:

upstream raw materials:

N-benzoyl-N'-2-methylbenzoylhydrazide

phenyl-1,3,4-thiadiazole

2-methylphenyl bromide

Downstream raw materials:

2-(5-phenyl-[1,3,4]thiadiazol-2-yl)-benzoic acid

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