4h,8h-Dibenzo[cd,mn]pyrene-4,8-dione

Base Information

• Chemical Name: 4h,8h-Dibenzo[cd,mn]pyrene-4,8-dione
• CAS No.: 65171-43-9
• Molecular Formula: C₂₂H₁₀O₂
• Molecular Weight: 306.32
• NSC Number: 143622
• DSSTox Substance ID: DTXSID40301467
• Nikkaji Number: J814.406K
• Wikidata: Q82045422
• Mol file: 65171-43-9.mol

Synonyms:65171-43-9;4h,8h-dibenzo[cd,mn]pyrene-4,8-dione;NSC143622;DTXSID40301467;NSC-143622

Chemical Property of 4h,8h-Dibenzo[cd,mn]pyrene-4,8-dione

Chemical Property:

• Vapor Pressure: 3.29E-15mmHg at 25°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 306.068079557
• Heavy Atom Count: 24
• Complexity: 547

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=CC3=C4C(=CC=C3)C(=O)C5=CC=CC6=C5C4=C2C(=C1)C6=O

Technology Process of 4h,8h-Dibenzo[cd,mn]pyrene-4,8-dione

There total 5 articles about 4h,8h-Dibenzo[cd,mn]pyrene-4,8-dione 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: 93.0%

2-(1-(2-formylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)benzoic acid → 4,8-dioxo-4H,8H-dibenzopyrene (65171-43-9)

Guidance literature:

With sulfuric acid; copper; at 120 ℃; for 2h;

DOI:10.1021/acs.orglett.9b02683

Reference yield: 5.8%

potassium 4,8-dioxo-4H,8H-dibenzopyren-12-olate → 4,8-dioxo-4H,8H-dibenzopyrene (65171-43-9)

Guidance literature:

With sodium hydroxide; zinc; for 24h; Heating;

DOI:10.1039/a606932k

Reference yield:

→ 4,8-dioxo-4H,8H-dibenzopyrene (65171-43-9)

Guidance literature:

With copper;

DOI:10.1021/ja01642a044

upstream raw materials:

9-(2-carboxy-phenyl)-9,10-dihydro-anthracene-1-carboxylic acid