Hexakis(p-tolyl)benzene

Base Information

• Chemical Name: Hexakis(p-tolyl)benzene
• CAS No.: 19057-51-3
• Molecular Formula: C48H42
• Molecular Weight: 618.861
• DSSTox Substance ID: DTXSID801147324
• Mol file: 19057-51-3.mol

Synonyms:hexakis(p-tolyl)benzene;DTXSID801147324;19057-51-3;4,4''-Dimethyl-3',4',5',6'-tetrakis(4-methylphenyl)-1,1':2',1''-terphenyl

Chemical Property of Hexakis(p-tolyl)benzene

Chemical Property:

• XLogP3: 13.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 618.328651340
• Heavy Atom Count: 48
• Complexity: 719

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C)C7=CC=C(C=C7)C

Technology Process of Hexakis(p-tolyl)benzene

There total 6 articles about Hexakis(p-tolyl)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: 94.0%

1,2-bis(4-methylphenyl)acetylene (2789-88-0) → hexakis(4-methylphenyl)benzene (19057-51-3)

Guidance literature:

With bis(acetylacetonate)nickel(II); 1,3-bis(2,4,6-trimethylphenyl)imidazolium chloride; butyl magnesium bromide; In tetrahydrofuran; toluene; at 20 ℃; for 1h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/asia.201601469

Reference yield: 28.0%

1,2-bis(4-methylphenyl)acetylene (2789-88-0) → hexakis(4-methylphenyl)benzene (19057-51-3) + 2,3-bis(4-methylphenyl)-1H-inden-1-one (41099-26-7) + 6-Methyl-3-phenyl-2-p-tolyl-inden-1-one (130894-34-7)

Guidance literature:

In decalin; for 0.166667h; Heating;

Reference yield:

1,2-bis(4-methylphenyl)acetylene (2789-88-0) → C48H42 + hexakis(4-methylphenyl)benzene (19057-51-3)

Guidance literature:

With palladium diacetate; copper(II) acetate monohydrate; potassium carbonate; p-benzoquinone; tricyclohexylphosphine; In water; acetonitrile; at 110 ℃; for 36h; Inert atmosphere;

DOI:10.1002/anie.200802560

upstream raw materials:

1,2-bis(4-methylphenyl)acetylene

(di-2-pyridylmethyl-amide)₂Fe