Benzo(A)fluoranthene

Base Information

• Chemical Name: Benzo(A)fluoranthene
• CAS No.: 203-33-8
• Molecular Formula: C20H12
• Molecular Weight: 252.315
• Hs Code.: 2902909090
• UNII: D03I23M795
• DSSTox Substance ID: DTXSID4059756
• Nikkaji Number: J401.173B
• Wikipedia: Benzo(a)fluoranthene
• Wikidata: Q4890780
• Mol file: 203-33-8.mol

Synonyms:benzo(a)fluoranthene

Chemical Property of Benzo(A)fluoranthene

Chemical Property:

• Melting Point: 167 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.8390 (estimate)
• Boiling Point: 467.5°Cat760mmHg
• Flash Point: 228.6°C
• PSA: 0.00000
• Density: 1.286g/cm³
• LogP: 5.64040
• Storage Temp.: 2-8°C
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 252.093900383
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

98%Min ^*data from raw suppliers

Benzo[a]fluoranthene BCR ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=CC=CC=C54

Technology Process of Benzo(A)fluoranthene

There total 12 articles about Benzo(A)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: 66.0%

2-(anthracen-1-yl)cyclohex-1-en-1-yl trifluoromethanesulfonate → benzo[a]fluoranthene (203-33-8) + 1,2,3,4-tetrahydrobenzo[a]aceanthrylene + C20H18

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride; In dichloromethane; N,N-dimethyl acetamide; at 150 ℃; for 1h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/jo501576e

Reference yield: 40.0%

9-benzyloxytriptycene → benzo[a]fluoranthene (203-33-8) + 1-[2-(9H-Fluoren-9-yl)-phenyl]-2-phenyl-ethanone (69612-60-8) + 9-[2-(Benzyloxy-methoxy-methyl)-phenyl]-9H-fluorene (69622-94-2)

Guidance literature:

In methanol; Irradiation;

DOI:10.1246/cl.1992.2051

Reference yield: 30.0%

methanol (67-56-1) + 9-benzyloxytriptycene → benzo[a]fluoranthene (203-33-8) + 1-[2-(9H-Fluoren-9-yl)-phenyl]-2-phenyl-ethanone (69612-60-8) + 9-[2-(Benzyloxy-methoxy-methyl)-phenyl]-9H-fluorene (69622-94-2)

Guidance literature:

Irradiation;

DOI:10.1246/cl.1992.2051

upstream raw materials:

9-bromo-9-(2-bromomethyl-phenyl)-fluorene

methanol

9-phenylanthracene

C₂₉H₂₂O₂

Refernces

• 1、 Martin, Sara E.,Streeter, Matthew D.,Jones, Laurel L.,Klepfer, Matthew S.,Atmatzidis, Kyriakos,Wille, Kristen D.,Harrison, Sean A.,Hoegg, Edward D.,Sheridan, Heather M.,Kramer, Stephanie,Parrish, Damon A.,Amick, Aaron W.. "A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons". . p. 8324 - 8330. Retrieved 2015/03/18.
• 2、 Plummer, Ben,Guterriez, Steve,Navikov, Alexei,Goodman, Dawn. "Synthesis of benz[1,2-a]aceanthrylene from triptycene via flash vacuum thermolysis". . p. 3213 - 3217. Retrieved 2007/10/03.