5-Chrysenecarboxylic acid

Base Information

• Chemical Name: 5-Chrysenecarboxylic acid
• CAS No.: 68723-48-8
• Molecular Formula: C19H12O2
• Molecular Weight: 272.303
• DSSTox Substance ID: DTXSID30429487
• Nikkaji Number: J2.192.654J
• Wikidata: Q27155522
• Mol file: 68723-48-8.mol

Synonyms:5-Chrysenecarboxylic acid;5-Chrysenecarboxylate;Chrysene-5-carboxylic Acid;68723-48-8;SCHEMBL12486124;CHEBI:81633;DTXSID30429487;C18282;Q27155522

Chemical Property of 5-Chrysenecarboxylic acid

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 272.083729621
• Heavy Atom Count: 21
• Complexity: 404

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: C1=CC=C2C(=C1)C=CC3=C2C(=CC4=CC=CC=C34)C(=O)O

Technology Process of 5-Chrysenecarboxylic acid

There total 2 articles about 5-Chrysenecarboxylic acid 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: 25.0%

2-(1-Naphthyl)-3-phenylpropenoic acid (71432-05-8) → Chrysene-11-carboxylic acid (68723-48-8) + 4-oxa-benzo[def]chrysene-5-one (71432-00-3)

Guidance literature:

With iodine; In benzene; for 3h; Irradiation;

DOI:10.1021/jo00177a035

Reference yield:

3-(2-amino-phenyl)-2-[1]naphthyl-acrylic acid → 3-(naphthalen-1-yl)-2H-chromen-2-one (42189-35-5) + Chrysene-11-carboxylic acid (68723-48-8)

Guidance literature:

With sodium hypophosphite; copper; ueber die Diazonium-Verbindung;

DOI:10.1021/ja01862a064

Reference yield: 65.0%

Chrysene-11-carboxylic acid (68723-48-8) → 4H-Cyclopentachrysen-4-one (86853-91-0)

Guidance literature:

With hydrogen fluoride; 1.) -75 deg C, 1 h, 2.a) 0 deg C, b) room temp.;

DOI:10.1021/jo00177a035

upstream raw materials:

2-(1-Naphthyl)-3-phenylpropenoic acid

Downstream raw materials:

chrysene

4H-Cyclopentachrysen-4-one

4-oxa-benzo[def]chrysene-5-one

4H-cyclopentachrysene