1,3,5-Tris(4-fluorophenyl)benzene

Base Information

• Chemical Name: 1,3,5-Tris(4-fluorophenyl)benzene
• CAS No.: 448-60-2
• Molecular Formula: C24H15F3
• Molecular Weight: 360.378
• NSC Number: 407270
• DSSTox Substance ID: DTXSID80324630
• Nikkaji Number: J2.401.642K
• Wikidata: Q82084377

Synonyms:1,3,5-tris(4-fluorophenyl)benzene;448-60-2;4,4''-Difluoro-5'-(4-fluorophenyl)-1,1':3',1''-terphenyl;1,3,5-Tri(4-fluorophenyl)benzene;NSC407270;YSZC2645;SCHEMBL19423241;DTXSID80324630;C24H15F3;AKOS017344370;NSC-407270;BS-53248;CS-0168075;E79159

Chemical Property of 1,3,5-Tris(4-fluorophenyl)benzene

Chemical Property:

• Vapor Pressure: 2.5E-08mmHg at 25°C
• Boiling Point: 463.5°Cat760mmHg
• Flash Point: 272.9°C
• Density: 1.209g/cm³
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 360.11258496
• Heavy Atom Count: 27
• Complexity: 364

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)F

Technology Process of 1,3,5-Tris(4-fluorophenyl)benzene

There total 3 articles about 1,3,5-Tris(4-fluorophenyl)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: 47.0%

1-ethynyl-4-fluorobenzene (766-98-3) + carbon dioxide (124-38-9,18923-20-1) → 1,3,5-tris(4-florophenyl)benzene (448-60-2) + 3-(4-fluoro-phenyl)-propenal (51791-26-5,24654-55-5,213617-57-3) + 4,6-bis(4-fluorophenyl)-2H-pyran-2-one + C16H10F2

Guidance literature:

With [(bis(diisopropylphosphino)ethane)Ni(H)]2; In toluene; at 50 ℃; for 69h; under 7757.43 Torr;

DOI:10.1016/j.jorganchem.2016.12.033

Reference yield: 23.0%

1-ethynyl-4-fluorobenzene (766-98-3) → 1,3,5-tris(4-florophenyl)benzene (448-60-2) + 7-fluoro-1,3,9-tris(p-fluorophenyl)-9-methylfluorene (83313-79-5) + 2,10-difluoro-6,12,13a-tris(p-fluorophenyl)-12-methylbenzo<6,7>cycloheptadieno<1,2,3-jk>fluorene (83313-84-2)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; for 168h;

DOI:10.1021/jo00146a029

Reference yield:

1-ethynyl-4-fluorobenzene (766-98-3) → 4,4″-difluoro-4′-(4-fluorophenyl)-1,1′:2′,1″-terphenyl + 1,3,5-tris(4-florophenyl)benzene (448-60-2) + 7-fluoro-1-(4'-fluorophenyl)naphthalene (1196729-23-3)

Guidance literature:

With vanadyl(IV) phthalocyanine; at 160 - 180 ℃; Inert atmosphere; neat (no solvent);

DOI:10.1039/b9nj00227h

upstream raw materials:

1-ethynyl-4-fluorobenzene

carbon dioxide

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