3-Methyl-4-phenyl-1,2,5-thiadiazole

Base Information

• Chemical Name: 3-Methyl-4-phenyl-1,2,5-thiadiazole
• CAS No.: 25283-73-2
• Molecular Formula: C9H8N2S
• Molecular Weight: 176.242
• DSSTox Substance ID: DTXSID90500625
• Nikkaji Number: J1.053.414C
• Wikidata: Q82352373
• Mol file: 25283-73-2.mol

Synonyms:3-methyl-4-phenyl-1,2,5-thiadiazole;25283-73-2;3-Methyl-4-phenyl-[1,2,5]thiadiazole;SCHEMBL4975817;DTXSID90500625

Chemical Property of 3-Methyl-4-phenyl-1,2,5-thiadiazole

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.04081944
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NSN=C1C2=CC=CC=C2

Technology Process of 3-Methyl-4-phenyl-1,2,5-thiadiazole

There total 9 articles about 3-Methyl-4-phenyl-1,2,5-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: 42.0%

propiophenone oxime (2157-50-8) → 3-Methyl-4-phenyl-1,2,5-thiadiazole (25283-73-2)

Guidance literature:

With tetrasulphur tetranitride; In 1,4-dioxane; for 48h; Heating;

Reference yield: 31.0%

1-phenylpropan-2-one oxime (13213-36-0) → 3-Methyl-4-phenyl-1,2,5-thiadiazole (25283-73-2)

Guidance literature:

With S₄N₄*SbCl₅; Et₃NBn⁽¹⁺⁾Cl^(1-); In benzene; at 60 ℃; for 2h;

DOI:10.3987/COM-98-8258

Reference yield:

1-phenylpropan-2-one oxime (13213-36-0) → 3-Methyl-4-phenyl-1,2,5-thiadiazole (25283-73-2) + N-(phenylmethyl)acetamide (588-46-5) + 1-chloro-1-phenylpropan-2-one (4773-35-7)

Guidance literature:

1-phenylpropan-2-one oxime; With S₄N₄*SbCl₅; In benzene; at 60 ℃; for 1h;

With Et₃NBn⁽¹⁺⁾Cl^(1-); In water; benzene; at 60 ℃; for 2h;

DOI:10.3987/COM-98-8258

upstream raw materials:

1-phenyl-acetone

3-phenyl-1,2,5-thiadiazole

methyl magnesium iodide

propiophenone oxime

Downstream raw materials:

trans-benzene hexabromide

4H-<1>benzopyrano<3,4-c><1,2,5>thiadiazole-4-one

cis-1,2-Dibromo-1,2-bis(4-phenyl-1,2,5-thiadiazol-3-yl)ethylene

trans-1,2-Dibromo-1,2-bis(4-phenyl-1,2,5-thiadiazol-3-yl)ethylene