1-(Chrysen-2-YL)ethan-1-one

Base Information

• Chemical Name: 1-(Chrysen-2-YL)ethan-1-one
• CAS No.: 68723-53-5
• Molecular Formula: C20H14O
• DSSTox Substance ID: DTXSID40498482
• Wikidata: Q82348562
• Mol file: 68723-53-5.mol

Synonyms:68723-53-5;1-(CHRYSEN-2-YL)ETHAN-1-ONE;SCHEMBL10484140;DTXSID40498482

Chemical Property of 1-(Chrysen-2-YL)ethan-1-one

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 270.104465066
• Heavy Atom Count: 21
• Complexity: 401

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4C=C3

Technology Process of 1-(Chrysen-2-YL)ethan-1-one

There total 5 articles about 1-(Chrysen-2-YL)ethan-1-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:

chrysene (218-01-9) + acetyl chloride (75-36-5) → 2-acetylchrysene (68723-53-5) + 3-acetylchrysene (68723-55-7) + 6-acetylchrysene (33942-77-7)

Guidance literature:

With aluminium trichloride; In nitrobenzene; at 0 - 20 ℃;

DOI:10.1021/jm00111a010

Reference yield:

chrysene (218-01-9) + acetyl chloride (75-36-5) → 2-acetylchrysene (68723-53-5) + 3-acetylchrysene (68723-55-7) + 6-acetylchrysene (33942-77-7) + 5-acetylchrysene

Guidance literature:

With aluminium trichloride; In nitromethane; at 20 ℃; for 3h; Yield given. Yields of byproduct given;

Reference yield:

chrysene (218-01-9) + acetyl chloride (75-36-5) → 4-acetylchrysene (68723-54-6) + 2-acetylchrysene (68723-53-5) + 1-acetylchrysene (68723-51-3) + 3-acetylchrysene (68723-55-7) + 6-acetylchrysene (33942-77-7) + 5-acetylchrysene

Guidance literature:

With aluminium trichloride; In chlorobenzene; at 20 ℃; for 3h; Product distribution; Friedel-Crafts acetylation; var. temp. and solvents;

upstream raw materials:

chrysene

acetyl chloride

carbon disulfide

aluminium trichloride

Downstream raw materials:

2-((2-Chrysenylmethyl)amino)-2-methyl-1,3-propanediol

2-chrysenemethanol