p-Octiphenyl

Base Information

• Chemical Name: p-Octiphenyl
• CAS No.: 70352-21-5
• Molecular Formula: C48H34
• Molecular Weight: 610.798
• DSSTox Substance ID: DTXSID90552008
• Nikkaji Number: J846.111B
• Wikidata: Q82431962
• Mol file: 70352-21-5.mol

Synonyms:p-octiphenyl;70352-21-5;DTXSID90552008;1~1~,2~1~:2~4~,3~1~:3~4~,4~1~:4~4~,5~1~:5~4~,6~1~:6~4~,7~1~:7~4~,8~1~-Octiphenyl (non-preferred name)

Chemical Property of p-Octiphenyl

Chemical Property:

• XLogP3: 13.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 610.266051085
• Heavy Atom Count: 48
• Complexity: 814

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=CC=C8

Technology Process of p-Octiphenyl

There total 3 articles about p-Octiphenyl 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: 35.0%

4-bromo-1,1':4',1”:4”,1”'-tetrabiphenyl (142878-37-3) → paraoctaphenyle (70352-21-5)

Guidance literature:

In N,N-dimethyl acetamide; electrolysis, LiBH₄, NiBr₂biPy, mercury pool cathode, magnesium anode, sat. calomel as reference electrode, -1.3 V;

Reference yield:

p-quaterphenyl (135-70-6) → paraoctaphenyle (70352-21-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 28 percent / Br₂ / 1,2-dichloro-benzene / 24 h / 85 °C

2: 2,2-bipyridine; bis(1,5-cyclooctadiene)nickel⁽⁰⁾; 1,5-cyclooctadiene / dimethylformamide / 40 h / 70 - 75 °C

With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,5-cis,cis-cyclooctadiene; bromine; In N,N-dimethyl-formamide; 1,2-dichloro-benzene;

DOI:10.1039/b400236a

Reference yield:

C52H50N2(2+)*2Br(1-) → paraoctaphenyle (70352-21-5) + ((E)-4-Biphenyl-4-yl-1-[1,4';1',1'';4'',1''';4''',1'''']quinquephenyl-4-ylethynyl-but-3-enyl)-dimethyl-amine + {(E)-4-Biphenyl-4-yl-1-[4'-((E)-6-biphenyl-4-yl-3-dimethylamino-hex-5-en-1-ynyl)-biphenyl-4-ylethynyl]-but-3-enyl}-dimethyl-amine

Guidance literature:

With potassium tert-butylate; Yield given. Multistep reaction; 1.) triglyme, room temp., 24 h, 2.) 190 deg C, 24 h;

DOI:10.1055/s-1987-28142

upstream raw materials:

4-bromo-1,1':4',1”:4”,1”'-tetrabiphenyl

p-quaterphenyl