1,3,5-Trifluoro-2-(2,4,6-trifluorophenyl)benzene

Base Information

• Chemical Name: 1,3,5-Trifluoro-2-(2,4,6-trifluorophenyl)benzene
• CAS No.: 41860-46-2
• Molecular Formula: C12H4F6
• Molecular Weight: 262.154
• DSSTox Substance ID: DTXSID40413054
• Nikkaji Number: J709.603H
• Wikidata: Q82220843

Synonyms:1,3,5-trifluoro-2-(2,4,6-trifluorophenyl)benzene;41860-46-2;SCHEMBL12578957;DTXSID40413054

Chemical Property of 1,3,5-Trifluoro-2-(2,4,6-trifluorophenyl)benzene

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 262.02171910
• Heavy Atom Count: 18
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C2=C(C=C(C=C2F)F)F)F)F

Technology Process of 1,3,5-Trifluoro-2-(2,4,6-trifluorophenyl)benzene

There total 3 articles about 1,3,5-Trifluoro-2-(2,4,6-trifluorophenyl)benzene 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:

cis-dichloro(2,4,6-trifluorophenyl)(triphenylphosphine)gold(III) (1554512-06-9) + 2,4,6-trifluorophenylboronic acid (182482-25-3) → (triphenylphosphine)gold(I) chloride (14243-64-2) + 2,2’,4,4’,6,6’-hexafluorobiphenyl (41860-46-2)

Guidance literature:

In 1,2-dichloro-ethane; at 150 ℃; for 5h; Inert atmosphere; Sealed tube; Schlenk technique;

DOI:10.1021/om400884s

Reference yield:

2,4,6-trifluorophenyl(triphenylphosphine)gold(I) → (triphenylphosphine)gold(I) chloride (14243-64-2) + 2,2’,4,4’,6,6’-hexafluorobiphenyl (41860-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 3 h / 25 °C / Inert atmosphere; Sealed tube; Schlenk technique

2: 1,2-dichloro-ethane / 5 h / 150 °C / Inert atmosphere; Sealed tube; Schlenk technique

In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1021/om400884s

Reference yield:

1,3,5-trifluorobenzene (372-38-3) → 2,2’,4,4’,6,6’-hexafluorobiphenyl (41860-46-2) + 3,5-difluorophenol (2713-34-0) + 2,4,6,2',6'-pentafluoro-biphenyl + 2,4-difluoro-6-(2,4,6-trifluoro-phenoxy)-benzene-1,3-diol

Guidance literature:

In water; pH=5; Kinetics; Quantum yield; Photolysis; 254 nm;

DOI:10.1016/0045-6535(96)00011-2

upstream raw materials:

1,3,5-trifluorobenzene

cis-dichloro(2,4,6-trifluorophenyl)(triphenylphosphine)gold(III)

2,4,6-trifluorophenylboronic acid

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