Thiazole, 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-

Base Information

• Chemical Name: Thiazole, 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-
• CAS No.: 70529-36-1
• Molecular Formula: C₁₆H₈Cl₂F₃NS
• Molecular Weight: 374.213
• ChEMBL ID: CHEMBL35880
• DSSTox Substance ID: DTXSID301225894
• Wikidata: Q107916741
• Mol file: 70529-36-1.mol

Synonyms:Thiazole, 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-;70529-36-1;CHEMBL35880;SCHEMBL11563598;DTXSID301225894;2-Trifluoromethyl-4,5-bis(p-chlorophenyl)thiazole;4,5-Bis(4-chlorophenyl)-2-(trifluoromethyl)thiazole

Chemical Property of Thiazole, 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 372.9706603
• Heavy Atom Count: 23
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(SC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl)Cl

Technology Process of Thiazole, 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)-

There total 3 articles about Thiazole, 4,5-bis(4-chlorophenyl)-2-(trifluoromethyl)- 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:

1,2-bis(4-chlorophenyl)ethanone (51490-05-2) → 4,5-bis-(4-chloro-phenyl)-2-trifluoromethyl-thiazole (70529-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / Br₂ / CHCl₃; diethyl ether / 0.5 h / Heating

2: acetonitrile / 20 h / Heating

With bromine; In diethyl ether; chloroform; acetonitrile;

DOI:10.1021/jm00144a026

Reference yield:

2-bromo-1,2-bis-(p-chlorophenyl)-ethanone (51324-24-4) + trifluorothioacetamide (421-52-3) → 4,5-bis-(4-chloro-phenyl)-2-trifluoromethyl-thiazole (70529-36-1)

Guidance literature:

In acetonitrile; for 20h; Heating;

DOI:10.1021/jm00144a026

Reference yield:

→ 4,5-bis-(4-chloro-phenyl)-2-trifluoromethyl-thiazole (70529-36-1)

Guidance literature:

/BRN= 796014/,/BRN= 878330/ (Abtr. durch Chromat.);

upstream raw materials:

2-bromo-1,2-bis-(p-chlorophenyl)-ethanone

trifluorothioacetamide

1,2-bis(4-chlorophenyl)ethanone