3-Acetylfluoranthene

Base Information

• Chemical Name: 3-Acetylfluoranthene
• CAS No.: 63278-00-2
• Molecular Formula: C18H12O
• Molecular Weight: 244.293
• DSSTox Substance ID: DTXSID50562481
• Nikkaji Number: J1.722.797A
• Wikidata: Q82446661
• Mol file: 63278-00-2.mol

Synonyms:63278-00-2;3-Acetylfluoranthene;SCHEMBL10587359;DTXSID50562481;1-(FLUORANTHEN-3-YL)ETHANONE;1-(FLUORANTHEN-3-YL)ETHAN-1-ONE

Chemical Property of 3-Acetylfluoranthene

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 244.088815002
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43

Technology Process of 3-Acetylfluoranthene

There total 1 articles about 3-Acetylfluoranthene 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: 11.0%

3,9-diacetylfluoranthene (28440-64-4) → fluoranthene (206-44-0) + 3-acetylfluoranthene (63278-00-2) + 1-(fluoranthen-8-yl)ethanone (114829-31-1) + 3-methyl-1Hbenzo[cd]fluoranthen-1-one

Guidance literature:

With polyphosphoric acid (PPA); at 120 ℃; Temperature; regioselective reaction; Inert atmosphere;

DOI:10.1007/s11224-016-0894-7

Reference yield:

3-acetylfluoranthene (63278-00-2) → fluoranthene (206-44-0) + 1-(fluoranthen-8-yl)ethanone (114829-31-1)

Guidance literature:

With polyphosphoric acid (PPA); at 120 ℃; Temperature; regioselective reaction; Inert atmosphere;

DOI:10.1007/s11224-016-0894-7

Reference yield:

3-acetylfluoranthene (63278-00-2) → fluoranthene (206-44-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / dichloromethane / 1 h / 0 - 20 °C

2: polyphosphoric acid (PPA) / 120 °C / Inert atmosphere

With aluminum (III) chloride; In dichloromethane;

DOI:10.1007/s11224-016-0894-7

upstream raw materials:

3,9-diacetylfluoranthene

Downstream raw materials:

3-Acetamidofluoranthene

fluoranthene

cyclopenta[cd]fluoranthene

3-ethynylfluoranthene