Dibenzo[a,e]fluoranthene

Base Information

• Chemical Name: Dibenzo[a,e]fluoranthene
• CAS No.: 5385-75-1
• Molecular Formula: C₂₄H₁₄
• Molecular Weight: 302.375
• Hs Code.: 2902909090
• European Community (EC) Number: 681-946-7
• UNII: 8GJV0BR3GN
• DSSTox Substance ID: DTXSID9063821
• Nikkaji Number: J57.935A
• Wikidata: Q27155941
• Mol file: 5385-75-1.mol

Synonyms:dibenzo(a,e)fluoranthene

Chemical Property of Dibenzo[a,e]fluoranthene

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Melting Point: 232°C
• Refractive Index: 1.9130 (estimate)
• Boiling Point: 552.3°C at 760 mmHg
• Flash Point: 282°C
• PSA: 0.00000
• Density: 1.313g/cm³
• LogP: 6.79360
• Storage Temp.: 2-8°C
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 302.109550447
• Heavy Atom Count: 24
• Complexity: 480

Purity/Quality:

98% ^*data from raw suppliers

Dibenzo[a,e]fluoranthene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 2120920
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 36/37

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5=C3C2=CC6=CC=CC=C65
• Uses: Dibenzo[a,e]fluoranthene is a useful intermediate in synthesizing poly cyclic aromatic hydrocarbons (PAHs), and also a suspected carcinogenic compound.

Technology Process of Dibenzo[a,e]fluoranthene

There total 14 articles about Dibenzo[a,e]fluoranthene 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: 7.0%

1-(diphenylmethylidene)-1H-cyclopropa[b]naphthalene (92012-57-2) → dibenzo[a,e]fluoranthene (5385-75-1) + dibenzo[b,k]fluoranthene (205-97-0) + Naphtho<2,3b>fluoranthene (206-06-4)

Guidance literature:

at 750 ℃; for 3h; under 0.02 Torr;

DOI:10.1016/j.tetlet.2005.12.047

Reference yield:

2-(7-benzanthracenyl)cyclohexanone (111189-42-5) → dibenzo[a,e]fluoranthene (5385-75-1) + Benzofluoranthene (203-20-3)

Guidance literature:

With PPA; 2,3-dicyano-5,6-dichloro-p-benzoquinone; Yield given. Multistep reaction; 1.) 110 deg C, 2 h, 2.) benzene, reflux, 30 min;

DOI:10.1021/jo00235a005

Reference yield:

2-(7-benzanthryl)cyclohexanol (111189-44-7) → dibenzo[a,e]fluoranthene (5385-75-1) + Benzofluoranthene (203-20-3) + 7-cyclohexenylbenzanthracene (36278-16-7)

Guidance literature:

With PPA; 2,3-dicyano-5,6-dichloro-p-benzoquinone; Yield given. Multistep reaction. Yields of byproduct given; 1.) 110 deg C, 2 h, 2.) benzene, reflux, 30 min;

DOI:10.1021/jo00235a005

upstream raw materials:

benz[a]anthracene

12-phenyl-benz[a]anthracene

2-(7-benzanthryl)cyclohexanol

2-(7-benzanthracenyl)cyclohexanone

Downstream raw materials:

2-(7-Oxo-7H-benzo[c]fluoren-6-yl)-benzaldehyde

Refernces

• 1、 Vingiello,Youssef. "". . p. 863. Retrieved 1967.
• 2、 Cho, Bongsup P.,Harvey, Ronald G.. "Policyclic Fluoranthene Hydrocarbons. 2. A New General Synthesis". . p. 5668 - 5678. Retrieved 2007/10/02.