1,3,6,8-Tetraphenylpyrene

Base Information

• Chemical Name: 1,3,6,8-Tetraphenylpyrene
• CAS No.: 13638-82-9
• Molecular Formula: C40H26
• Molecular Weight: 506.646
• Hs Code.: 2902909090
• European Community (EC) Number: 622-524-4
• NSC Number: 84256
• DSSTox Substance ID: DTXSID70292632
• Nikkaji Number: J874.076C
• Wikidata: Q82031017
• Mol file: 13638-82-9.mol

Synonyms:1,3,6,8-tetraphenylpyrene;13638-82-9;Pyrene, 1,3,6,8-tetraphenyl-;NSC84256;1,3,6,8-Tetraphenylpyren;YSZC048;DTXSID70292632;MFCD00021662;NSC-84256;AKOS022180905;AS-59428;T3042;D92652

Chemical Property of 1,3,6,8-Tetraphenylpyrene

Chemical Property:

• Vapor Pressure: 1.62E-16mmHg at 25°C
• Melting Point: 299 °C
• Boiling Point: 659.2°Cat760mmHg
• Flash Point: 356.4°C
• PSA: 0.00000
• Density: 1.197g/cm³
• LogP: 11.25200
• Storage Temp.: 2-8°C
• XLogP3: 11.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 506.203450829
• Heavy Atom Count: 40
• Complexity: 672

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3,6,8-Tetraphenylpyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Technology Process of 1,3,6,8-Tetraphenylpyrene

There total 8 articles about 1,3,6,8-Tetraphenylpyrene 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: 97.0%

1,3,6,8-tetrabromopyrene (128-63-2) + phenylboronic acid (98-80-6) → 1,3,6,8-tetraphenylpyrene (13638-82-9)

Guidance literature:

With C₄₂H₅₄Cl₂N₆Pd; triphenylphosphine; sodium hydroxide; In 1,4-dioxane; at 105 - 110 ℃; for 8h; Inert atmosphere;

DOI:10.3762/bjoc.9.79

Reference yield:

pyrene (129-00-0) → 1,3,6,8-tetraphenylpyrene (13638-82-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / nitrobenzene / Reflux

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 48 h / 160 °C / Inert atmosphere; Schlenk technique; Darkness

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; bromine; potassium carbonate; In nitrobenzene; 2: |Suzuki Coupling;

DOI:10.1016/j.jphotochem.2019.01.014

Reference yield:

1-chloropyrene (34244-14-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,6-diphenylpyrene (55009-75-1) + 1,3,6,8-tetraphenylpyrene (13638-82-9)

Guidance literature:

With aluminium trichloride; at 60 ℃;

DOI:10.1007/BF00899119

upstream raw materials:

1-chloropyrene

benzene

1-bromopyrene

1,3,6,8-tetrachloropyrene

Downstream raw materials:

1,4,5,8-Tetrabenzoyl-naphthalin