9H-Dibenz(b,de)anthracen-9-one

Base Information

• Chemical Name: 9H-Dibenz(b,de)anthracen-9-one
• CAS No.: 86854-05-9
• Molecular Formula: C₂₁H₁₂O
• Molecular Weight: 280.326
• ChEMBL ID: CHEMBL3822739
• Nikkaji Number: J1.596.379D
• Mol file: 86854-05-9.mol

Synonyms:86854-05-9;9H-Dibenz(b,de)anthracen-9-one;pentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-one;8H-benzo[fg]naphthacen-8-one;CHEMBL3822739;AB-131/42301670

Chemical Property of 9H-Dibenz(b,de)anthracen-9-one

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 280.088815002
• Heavy Atom Count: 22
• Complexity: 455

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C(=O)C4=CC2=C1

Technology Process of 9H-Dibenz(b,de)anthracen-9-one

There total 4 articles about 9H-Dibenz(b,de)anthracen-9-one 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:

8H-benzo[fg]naphthacene (196-03-2) → benzo[fg]naphthacen-8-one (86854-05-9)

Guidance literature:

With selenium(IV) oxide; acetic acid;

Reference yield:

phenanthrene-9-yl (phenyl)methanone (6453-95-8) → benzo[fg]naphthacen-8-one (86854-05-9)

Guidance literature:

With aluminium trichloride; sodium chloride;

Reference yield:

1,2,3,4,5,6,7,8-Octahydrophenanthrene (5325-97-3) → benzo[fg]naphthacen-8-one (86854-05-9)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃; benzene

2: copper-powder / 400 °C

3: SeO₂; acetic acid

With aluminium trichloride; selenium(IV) oxide; copper; acetic acid; benzene;

upstream raw materials:

phenanthrene-9-yl (phenyl)methanone

8H-benzo[fg]naphthacene

1,2,3,4,5,6,7,8-Octahydrophenanthrene

(1,2,3,4,5,6,7,8-octahydro-[9]phenanthryl)-phenyl ketone

Downstream raw materials:

hexabenzo[a,cd,f,j,lm,o]perylene

hexabenzocoronene

9-o-tolyl-benzo[fg]naphthacen-8-one