Benzo[A]indeno[1,2,3-FG]aceanthrylene

Base Information

• Chemical Name: Benzo[A]indeno[1,2,3-FG]aceanthrylene
• CAS No.: 192-42-7
• Molecular Formula: C26H14
• Molecular Weight: 326.397
• DSSTox Substance ID: DTXSID20475731
• Nikkaji Number: J10.921E
• Wikidata: Q82306478
• Mol file: 192-42-7.mol

Synonyms:192-42-7;BENZO[A]INDENO[1,2,3-FG]ACEANTHRYLENE;Benz[a]indeno[1,2,3-fg]aceanthrylene;heptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(24),2,4,6,8(25),9,11,13,15(26),16,18,20,22-tridecaene;DTXSID20475731

Chemical Property of Benzo[A]indeno[1,2,3-FG]aceanthrylene

Chemical Property:

• PSA: 0.00000
• LogP: 7.28780
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 326.109550447
• Heavy Atom Count: 26
• Complexity: 514

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=C4C5=CC=CC=C5C6=C4C3=C2C7=CC=CC=C76

Technology Process of Benzo[A]indeno[1,2,3-FG]aceanthrylene

There total 4 articles about Benzo[A]indeno[1,2,3-FG]aceanthrylene 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: 27.0%

9,10-Dibromoanthracene (523-27-3) + (2-bromophenyl)boronic acid (244205-40-1) → anthracene (120-12-7) + rubicene (197-61-5) + benzo[a]fluoranthene (203-33-8) + isorubicene (192-42-7)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine; In N,N-dimethyl-formamide; at 155 ℃; for 48h;

DOI:10.1021/jo020367h

Reference yield:

1,4-dichloro-9,10-diphenyl-9,10-dihydro-anthracene-9,10-diol (859332-37-9) → isorubicene (192-42-7)

Guidance literature:

With sodium formate; oxalic acid; copper; at 365 ℃; under 30 - 35 Torr; weiteres Reagens: Aluminium-Pulver;

Reference yield:

1,4-dichloroanthraquinone (602-25-5) → isorubicene (192-42-7)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene; diethyl ether / Kochen der vom Aether befreiten Reaktionsloesung

2: oxalic acid; sodium formate; copper-powder / 365 °C / 30 - 35 Torr / weiteres Reagens: Aluminium-Pulver

With diethyl ether; sodium formate; oxalic acid; copper; toluene;

upstream raw materials:

1,4-dichloro-9,10-diphenyl-9,10-dihydro-anthracene-9,10-diol

sodium formate

oxalic acid

9,10-Dibromoanthracene