Dicyclopenta[CD,FG]pyrene

Base Information

• Chemical Name: Dicyclopenta[CD,FG]pyrene
• CAS No.: 173678-72-3
• Molecular Formula: C₂₀H₁₀
• Molecular Weight: 250.299
• DSSTox Substance ID: DTXSID80570716
• Nikkaji Number: J706.269I
• Wikidata: Q82458248
• Mol file: 173678-72-3.mol

Synonyms:DICYCLOPENTA[CD,FG]PYRENE;173678-72-3;hexacyclo[11.7.0.02,10.03,7.04,19.016,20]icosa-1(13),2(10),3(7),4(19),5,8,11,14,16(20),17-decaene;DTXSID80570716

Chemical Property of Dicyclopenta[CD,FG]pyrene

Chemical Property:

• PSA: 0.00000
• LogP: 5.76600
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 250.078250319
• Heavy Atom Count: 20
• Complexity: 454

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C3C4=C(C=C2)C=CC4=C5C=CC6=C5C3=C1C=C6

Technology Process of Dicyclopenta[CD,FG]pyrene

There total 5 articles about Dicyclopenta[CD,FG]pyrene 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: 51.0%

1,8-Bis(1-chloroethenyl)pyrene (173678-69-8) → dicyclopenta[cd,fg]pyrene (173678-72-3)

Guidance literature:

at 1000 ℃; under 0.8 - 1 Torr;

DOI:10.1021/jo9516087

Reference yield:

1,8-bis(acetyl)pyrene (86471-06-9) → dicyclopenta[cd,fg]pyrene (173678-72-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / PCl₅ / CH₂Cl₂ / 5 h / Heating

2: 1000 °C / 0.01 Torr

With phosphorus pentachloride; In dichloromethane;

DOI:10.1039/c39950002415

Reference yield:

pyrene (129-00-0) → dicyclopenta[cd,fg]pyrene (173678-72-3)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃ / CS₂

2: 52 percent / PCl₅ / CH₂Cl₂ / 3 h / Ambient temperature

3: 51 percent / 1000 °C / 0.8 - 1 Torr

With aluminium trichloride; phosphorus pentachloride; In carbon disulfide; dichloromethane;

DOI:10.1021/jo9516087

upstream raw materials:

1,8-Bis(1-chloroethenyl)pyrene

1,8-bis(acetyl)pyrene

pyrene

Downstream raw materials:

Bisdihydrocyclopentacepyrylene