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

Base Information

• Chemical Name: N-Phenyl-2-(5-phenyl-1,3,4-thiadiazol-2-yl)aniline
• CAS No.: 88518-09-6
• Molecular Formula: C₂₀H₁₅N₃S
• Molecular Weight: 329.425
• DSSTox Substance ID: DTXSID40518412
• Wikidata: Q82381091

Synonyms:88518-09-6;N-Phenyl-2-(5-phenyl-1,3,4-thiadiazol-2-yl)aniline;DTXSID40518412

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

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.09866866
• Heavy Atom Count: 24
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3NC4=CC=CC=C4

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

There total 4 articles about N-Phenyl-2-(5-phenyl-1,3,4-thiadiazol-2-yl)aniline 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: 62.0%

N-Phenyl-trithioisatosaeureanhydrid (56043-02-8) + benzoic acid hydrazide (613-94-5) → Phenyl-[2-(5-phenyl-[1,3,4]thiadiazol-2-yl)-phenyl]-amine (88518-09-6)

Guidance literature:

In various solvent(s); for 2h;

DOI:10.1007/BF00799952

Reference yield: 48.0%

benzoic acid hydrazide (613-94-5) + 1-phenyl-1,2-dihydro-benzo[d][1,3]thiazine-4-thione (16095-54-8) → Phenyl-[2-(5-phenyl-[1,3,4]thiadiazol-2-yl)-phenyl]-amine (88518-09-6) + N-(1-Phenyl-4-thioxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide (106688-51-1)

Guidance literature:

In ethanol; Heating;

Reference yield: 10.0%

N-(1-Phenyl-4-thioxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide (106688-51-1) → Phenyl-[2-(5-phenyl-[1,3,4]thiadiazol-2-yl)-phenyl]-amine (88518-09-6) + N-(1-Phenyl-2,4-dithioxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide (106688-87-3)

Guidance literature:

With sulfur; at 200 ℃; for 1h;

upstream raw materials:

N-Phenyl-trithioisatosaeureanhydrid

benzoic acid hydrazide

1-phenyl-1,2-dihydro-benzo[d][1,3]thiazine-4-thione

N-(1-Phenyl-4-thioxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide

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