Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro-

Base Information

• Chemical Name: Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro-
• CAS No.: 63041-49-6
• Molecular Formula: C20H16
• Molecular Weight: 256.36
• DSSTox Substance ID: DTXSID40978971
• Nikkaji Number: J92.319B
• Mol file: 63041-49-6.mol

Synonyms:meso-Dihydrocholanthrene;BRN 3297417;Cholanthrene, 6,12b-dihydro-;Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro-;3-05-00-02420 (Beilstein Handbook Reference);63041-49-6;Benz[j]aceanthrylene, 1,2,6,12b-tetrahydro-;DTXSID40978971;LS-53060;1,2,6,12b-Tetrahydrocyclopenta[ij]tetraphene

Chemical Property of Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro-

Chemical Property:

• Vapor Pressure: 5.64E-07mmHg at 25°C
• Boiling Point: 423.1°C at 760 mmHg
• Flash Point: 202.7°C
• Density: 1.197g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 256.125200510
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C3C1C4=C(CC3=CC=C2)C5=CC=CC=C5C=C4

Technology Process of Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro-

There total 4 articles about Benz(j)aceanthrylene, 1,2,6,12b-tetrahydro- 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:

cholanthrene (479-23-2) → 1,2,6,12b-tetrahydro-benz[j]aceanthrylene (63041-49-6)

Guidance literature:

With diethyl ether; sodium; benzene; anschliessende Behandlung mit Methanol;

DOI:10.1021/jo01222a006

Reference yield:

1-Oxo-1,2-dihydrobenzoaceanthrylene (13728-49-9) → 1,2,6,12b-tetrahydro-benz[j]aceanthrylene (63041-49-6)

Guidance literature:

Multi-step reaction with 2 steps

1: amalgamated zinc; concentrated aqueous HCl; glacial acetic acid / weiteres Reagens: Toluol

2: lithium; diethyl ether; benzene / anschliessende Behandlung mit Methanol

With hydrogenchloride; amalgamated zinc; diethyl ether; lithium; acetic acid; benzene;

DOI:10.1021/jo01222a006

Reference yield:

diethyl ether (60-29-7,927820-24-4) + cholanthrene (479-23-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,2,6,12b-tetrahydro-benz[j]aceanthrylene (63041-49-6)

Guidance literature:

Behandlung mit Methanol;

DOI:10.1021/jo01222a006

upstream raw materials:

cholanthrene

diethyl ether

benzene

1-Oxo-1,2-dihydrobenzoaceanthrylene