11h-Benz[bc]aceanthrylene

Base Information

• Chemical Name: 11h-Benz[bc]aceanthrylene
• CAS No.: 202-94-8
• Molecular Formula: C₁₉H₁₂
• Molecular Weight: 240.304
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90174042
• Nikkaji Number: J475.383F
• Wikidata: Q27155918
• Mol file: 202-94-8.mol

Synonyms:11h-benz[bc]aceanthrylene;202-94-8;11H-Benz(bc)aceanthrylene;1,12-Methylenebenz(a)anthracene;1',9-Methylene-1,2-benzanthracene;Benz(a)anthracene, 1,12-methylene-;1,2-Benzanthracene, 1',9-methylene-;11H-Cyclopenta[pqr]tetraphene;pentacyclo[14.2.1.02,7.09,18.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaene;11h-benz[bc]aceanthry-lene;CHEBI:82395;DTXSID90174042;C19H12;AKOS030240035;LS-24783;C19335;Q27155918;pentacyclo[14.2.1.0?,?.0?,??.0??,??]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaene

Chemical Property of 11h-Benz[bc]aceanthrylene

Chemical Property:

• Vapor Pressure: 1.44E-08mmHg at 25°C
• Melting Point: 122.7-123.1 °C
• Refractive Index: 1.848
• Boiling Point: 470.4 °C at 760 mmHg
• Flash Point: 229.5 °C
• PSA: 0.00000
• Density: 1.296 g/cm³
• LogP: 5.05040
• Storage Temp.: Refrigerator
• Solubility.: Acetone (Very Slightly, Heated), Chloroform (Slightly)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 240.093900383
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

11H-Benz[bc]aceanthrylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC3=C2C4=C1C5=CC=CC=C5C=C4C=C3
• Uses: 11H-Benz[bc]aceanthrylene is used in research of carcinogenic activity of methylene-bridged derivatives of benz[a]anthracene. No carcinogenic action was observed. As a polycyclic aromatic hydrocarbon (PAH), it is considered as a pollutant.

Technology Process of 11h-Benz[bc]aceanthrylene

There total 11 articles about 11h-Benz[bc]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: 48.0%

Acetic acid 11-oxo-11H-benzo[bc]aceanthrylen-6-yl ester (84895-09-0) → 11H-Benzaceanthrylene (202-94-8)

Guidance literature:

With phosphorus; hydrogen iodide; In acetic acid; for 20h; Heating;

DOI:10.1021/jo00073a058

Reference yield: 42.0%

4,5-dihydro-1,12-methylenebenzanthracene (84877-39-4) → 11H-Benzaceanthrylene (202-94-8)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; for 4h; Heating;

DOI:10.1021/jo00156a041

Reference yield:

→ 11H-Benzaceanthrylene (202-94-8)

Guidance literature:

With palladium on activated charcoal; at 220 - 320 ℃;

DOI:10.1021/ja01862a088

upstream raw materials:

3-benzoylacenaphthene

2-Acenaphthen-1-yl-cyclohexanecarbaldehyde

4,5-dihydro-1,12-methylenebenzanthracene

Acetic acid 11-oxo-11H-benzo[bc]aceanthrylen-6-yl ester

Downstream raw materials:

11H-Benzaceanthrylen-11-one

Refernces

• 1、 Gimisis, Thanasis,Kampf, Jeff W.,Koreeda, Masato. "Synthesis of Methylene-Bridged Polycyclic Aromatic Hydrocarbons: An Efficient, Double Friedel-Crafts Cyclization Approach to 11H-Benzaceanthrylene". . p. 5858 - 5861. Retrieved 2007/10/02.
• 2、 Ray, Jayanta K.,Harvey, Ronald G.. "Synthesis of Methylene-Bridged Polycyclic Hydrocarbons". . p. 1352 - 1354. Retrieved 2007/10/02.