Chrysene-5,6-oxide

Base Information

• Chemical Name: Chrysene-5,6-oxide
• CAS No.: 15131-84-7
• Molecular Formula: C₁₈H₁₂O
• Molecular Weight: 244.293
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30934228
• Nikkaji Number: J3.131C
• Mol file: 15131-84-7.mol

Synonyms:chrysene, K-region epoxide;chrysene-5,6-oxide

Chemical Property of Chrysene-5,6-oxide

Chemical Property:

• Vapor Pressure: 9.01E-08mmHg at 25°C
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 447.3°Cat760mmHg
• Flash Point: 212.4°C
• PSA: 12.53000
• Density: 1.285g/cm³
• LogP: 4.63280
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 244.088815002
• Heavy Atom Count: 19
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

CHRYSENE-5,6-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4C(O4)C5=CC=CC=C35

Technology Process of Chrysene-5,6-oxide

There total 6 articles about Chrysene-5,6-oxide 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: 95.0%

trans-5-acetoxy-6-bromo-5,6-dihydrochrysene (89523-48-8,105882-35-7) → chrysene 5,6-oxide (15131-84-7)

Guidance literature:

With sodium methylate; In tetrahydrofuran;

DOI:10.1016/S0040-4039(01)99806-5

Reference yield: 85.0%

2-Phenylnaphthalene-1,2'-dicarboxaldehyde (132335-14-9) → 1a,11c-Dihydrochryseno<5,6-b>oxirene (15131-84-7,98243-92-6,98243-93-7)

Guidance literature:

With Hexamethylphosphorous triamide; In benzene; at 60 ℃; for 4h;

Reference yield: 78.0%

chrysene (218-01-9) → chrysene 5,6-oxide (15131-84-7)

Guidance literature:

With sodium hypochlorite; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; for 14h;

DOI:10.1021/jo00347a009

upstream raw materials:

chrysene

trans-5-acetoxy-6-bromo-5,6-dihydrochrysene

2-Phenylnaphthalene-1,2'-dicarboxaldehyde

3,3-dimethyldioxirane

Downstream raw materials:

6-acetoxychrysene

6-Azidochrysene

1a,11c-Dihydrochryseno<5,6-b>azirine

6-hydroxychrysene

Refernces

• 1、 Raddo, P. Di,Chan, T.H.. "Reactions of the K-Region Epoxides of Polycyclic Aromatic Hydrocarbons with Phosphodiesters. A Potential Detoxification Reaction". . p. 1427 - 1431. Retrieved 1982.
• 2、 Abu-Shqara, Elias,Elg'amal, Shafea,Blum, Jochanan. "Arene Imine Derivatives of Chrysene and of Benzochrysene: 1a,11c-Dihydrochrysenoazirine and 1a,13c-Dihydrobenzochrysenoazirine". . p. 1681 - 1684. Retrieved 2007/10/02.