2,3,4,5,6-Pentafluoro-4'-methyl-1,1'-biphenyl

Base Information

• Chemical Name: 2,3,4,5,6-Pentafluoro-4'-methyl-1,1'-biphenyl
• CAS No.: 14621-04-6
• Molecular Formula: C13H7F5
• Molecular Weight: 258.191
• DSSTox Substance ID: DTXSID40464809
• Nikkaji Number: J534.393C
• Wikidata: Q82290309
• Mol file: 14621-04-6.mol

Synonyms:2,3,4,5,6-Pentafluoro-4'-methyl-1,1'-biphenyl;14621-04-6;SCHEMBL4155727;DTXSID40464809;AKOS004114903;2,3,4,5,6-pentafluoro-4'-methylbiphenyl;BB 0223453

Chemical Property of 2,3,4,5,6-Pentafluoro-4'-methyl-1,1'-biphenyl

Chemical Property:

• PSA: 0.00000
• LogP: 4.35750
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.04679103
• Heavy Atom Count: 18
• Complexity: 261

Purity/Quality:

2,3,4,5,6-Pentafluoro-4'-tert-butylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of 2,3,4,5,6-Pentafluoro-4'-methyl-1,1'-biphenyl

There total 67 articles about 2,3,4,5,6-Pentafluoro-4'-methyl-1,1'-biphenyl 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: 99.0%

para-bromotoluene (106-38-7) + potassium perfluorophenyltrifluoroborate → 2,3,4,5,6-pentafluoro-4'-methylbiphenyl (14621-04-6)

Guidance literature:

With tri-tert-butyl phosphine; palladium diacetate; potassium carbonate; silver(l) oxide; In toluene; at 100 ℃; for 1h; Time; Inert atmosphere; Sealed tube;

DOI:10.3762/bjoc.11.68

Reference yield: 98.0%

para-bromotoluene (106-38-7) + Pentafluorobenzene (363-72-4) → 2,3,4,5,6-pentafluoro-4'-methylbiphenyl (14621-04-6)

Guidance literature:

With di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; potassium carbonate; palladium diacetate; In N,N-dimethyl acetamide; at 120 ℃;

DOI:10.1021/ja062509l

Reference yield: 96.0%

para-bromotoluene (106-38-7) + potassium 2,3,4,5,6-pentafluorobenzoate (58521-27-0) → 2,3,4,5,6-pentafluoro-4'-methylbiphenyl (14621-04-6)

Guidance literature:

With palladium diacetate; tris-(o-tolyl)phosphine; In diethylene glycol dimethyl ether; at 130 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol100008q

upstream raw materials:

4-tolyl iodide

(pentafluorophenyl)trimethyltin

Hexafluorobenzene

para-bromotoluene