Phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone

Base Information

• Chemical Name: Phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone
• CAS No.: 181271-17-0
• Molecular Formula: C15H10N2OS
• Molecular Weight: 266.323
• DSSTox Substance ID: DTXSID50570703
• Nikkaji Number: J3.642.232G
• Wikidata: Q82458231
• Mol file: 181271-17-0.mol

Synonyms:Phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone;181271-17-0;DTXSID50570703

Chemical Property of Phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.05138412
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NSC(=N2)C(=O)C3=CC=CC=C3

Technology Process of Phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone

There total 2 articles about Phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone 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: 79.0%

benzoyl cyanide (613-90-1) + 5-phenyl-1,3,4-oxathiazol-2-one (5852-49-3) → phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone (181271-17-0)

Guidance literature:

at 115 ℃; for 144h;

Reference yield: 74.0%

benzamidine monohydrochloride (1670-14-0) + acetophenone (98-86-2) → phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone (181271-17-0)

Guidance literature:

With sulfur; dipotassium hydrogenphosphate; palladium dichloride; In dimethyl sulfoxide; at 130 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Inert atmosphere;

DOI:10.1002/ejoc.201700148

Reference yield: 68.0%

phenylhydrazine (100-63-0) + phenyl(3-phenyl-1,2,4-thiadiazol-5-yl)methanone (181271-17-0) → N-Phenyl-N'-[1-phenyl-1-(3-phenyl-[1,2,4]thiadiazol-5-yl)-meth-(Z)-ylidene]-hydrazine

Guidance literature:

With o-toluenesulfonic acid; In toluene; 1.) reflux, 2 h, 2.) room temperature, overnight.;

upstream raw materials:

benzoyl cyanide

5-phenyl-1,3,4-oxathiazol-2-one

benzamidine monohydrochloride

acetophenone