2-(2-Chlorophenyl)-5-(2-methylphenyl)-1,3,4-thiadiazole

Base Information

• Chemical Name: 2-(2-Chlorophenyl)-5-(2-methylphenyl)-1,3,4-thiadiazole
• CAS No.: 65349-15-7
• Molecular Formula: C₁₅H₁₁ClN₂S
• Molecular Weight: 286.785
• DSSTox Substance ID: DTXSID90496039
• Wikidata: Q82344600

Synonyms:2-(2-chlorophenyl)-5-(2-methylphenyl)-1,3,4-thiadiazole;65349-15-7;DTXSID90496039;2-(2-chlorophenyl)-5-(o-tolyl)-[1,3,4]thiadiazole;2-(2-Chlorophenyl)-5-(o-tolyl)-1,3,4-thiadiazole

Chemical Property of 2-(2-Chlorophenyl)-5-(2-methylphenyl)-1,3,4-thiadiazole

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 286.0331472
• Heavy Atom Count: 19
• Complexity: 302

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=CC=CC=C1C2=NN=C(S2)C3=CC=CC=C3Cl

Technology Process of 2-(2-Chlorophenyl)-5-(2-methylphenyl)-1,3,4-thiadiazole

There total 3 articles about 2-(2-Chlorophenyl)-5-(2-methylphenyl)-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:

C16H11Cl2N3 (90017-18-8) → 2-(2-chloro-phenyl)-5-o-tolyl-[1,3,4]thiadiazole (65349-15-7)

Guidance literature:

With sodium hydrogensulfide; In water; dimethyl sulfoxide; for 0.5h; Yield given; Ambient temperature;

DOI:10.1055/s-1984-30760

Reference yield:

2-Chloro-benzoic acid [1-cyano-1-o-tolyl-meth-(Z)-ylidene]-hydrazide (90017-02-0) → 2-(2-chloro-phenyl)-5-o-tolyl-[1,3,4]thiadiazole (65349-15-7)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / CHCl₃ / 0.33 h / Heating

2: NaSH / dimethylsulfoxide; H₂O / 0.5 h / Ambient temperature

With sodium hydrogensulfide; phosphorus pentachloride; In chloroform; water; dimethyl sulfoxide;

DOI:10.1055/s-1984-30760

Reference yield:

2-methyl-benzoic acid N'-(2-chloro-benzoyl)-hydrazide (56894-39-4) → 2-(2-chloro-phenyl)-5-o-tolyl-[1,3,4]thiadiazole (65349-15-7)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine; Heating;

DOI:10.1071/CH9772225

upstream raw materials:

2-methyl-benzoic acid N'-(2-chloro-benzoyl)-hydrazide

C₁₆H₁₁Cl₂N₃

2-Chloro-benzoic acid [1-cyano-1-o-tolyl-meth-(Z)-ylidene]-hydrazide

Downstream raw materials:

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

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