1-(4-Phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone

Base Information

• Chemical Name: 1-(4-Phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone
• CAS No.: 147878-13-5
• Molecular Formula: C₁₇H₁₄N₂OS
• Molecular Weight: 294.377
• Nikkaji Number: J846.029I
• Mol file: 147878-13-5.mol

Synonyms:2-Benzylidene-3-phenyl-5-acetyl-1,3,4-thiadiazoline;1-(4-Phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone;Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-;147878-13-5;AKOS000544890;LS-67570;2-Acetyl-4-phenyl-5-benzylidene-4,5-dihydro-1,3,4-thiadiazole

Chemical Property of 1-(4-Phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone

Chemical Property:

• Vapor Pressure: 4.33E-08mmHg at 25°C
• Boiling Point: 444.3°Cat760mmHg
• Flash Point: 222.5°C
• Density: 1.19g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 294.08268425
• Heavy Atom Count: 21
• Complexity: 446

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=NN(C(=CC2=CC=CC=C2)S1)C3=CC=CC=C3
• Isomeric SMILES: CC(=O)C1=NN(/C(=C/C2=CC=CC=C2)/S1)C3=CC=CC=C3

Technology Process of 1-(4-Phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone

There total 9 articles about 1-(4-Phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone 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: 60.0%

methylglyoxal N-phenyl-C-(2-phenylethynylthio)hydrazone (75398-53-7) → 5-benzylidene-4-phenyl-2-acetyl-Δ2-1,2,4-thiadiazoline (147878-13-5)

Guidance literature:

With potassium hydroxide; In methanol; for 1h;

Reference yield: 20.0%

benzyl dithioacetate (32894-08-9) + 1-chloro-1-(phenylhydrazono)propanone (18440-58-9,1017827-91-6) → 1-{4-Phenyl-5-[1-phenyl-meth-(Z)-ylidene]-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-ethanone (147878-13-5)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In benzene; at 25 ℃; for 6h;

Reference yield: 10.0%

4-phenyl-1,2,3-thiadiazole (25445-77-6) + 1-(N-phenylhydrazono)-1-chloropropanone (18440-58-9,1017827-91-6) → 5-benzylidene-4-phenyl-2-acetyl-Δ2-1,2,4-thiadiazoline (147878-13-5)

Guidance literature:

With tetrabutylammonium perchlorate; In acetonitrile; electrochemical reduction;

upstream raw materials:

4-phenyl-1,2,3-thiadiazole

1-(N-phenylhydrazono)-1-chloropropanone

methylglyoxal N-phenyl-C-(2-phenylethynylthio)hydrazone

phenylethynethiolate potassium