Phanquinone

Base Information

• Chemical Name: Phanquinone
• CAS No.: 84-12-8
• Molecular Formula: C12H6 N2 O2
• Molecular Weight: 210.192
• Hs Code.: 2933990090
• European Community (EC) Number: 201-516-0
• UNII: ID94IS6N8J
• DSSTox Substance ID: DTXSID3046112
• Nikkaji Number: J4.892E
• Wikipedia: Phanquinone
• Wikidata: Q7180497
• NCI Thesaurus Code: C90620
• Metabolomics Workbench ID: 60426
• ChEMBL ID: CHEMBL531048
• Mol file: 84-12-8.mol

Synonyms:4,7-phenanthroline-5,6-dione;c 14574;Entobex;phanquinone;phanquone

Chemical Property of Phanquinone

Chemical Property:

• Vapor Pressure: 1.66E-08mmHg at 25°C
• Melting Point: 295° (dec)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 456.1°C at 760 mmHg
• PKA: -0.30±0.20(Predicted)
• Flash Point: 229.1°C
• PSA: 59.92000
• Density: 1.444g/cm³
• LogP: 1.52260
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 210.042927438
• Heavy Atom Count: 16
• Complexity: 297

Purity/Quality:

98% ^*data from raw suppliers

4,7-Phenanthroline-5,6-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=O)C(=O)C3=C2C=CC=N3)N=C1

Technology Process of Phanquinone

There total 8 articles about Phanquinone 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: 94.0%

5-hydroxy-6-methoxy-4,7-phenanthroline → phanquinone (84-12-8)

Guidance literature:

5-hydroxy-6-methoxy-4,7-phenanthroline; With potassium chloride; at 40 ℃; for 3h;

With cobaltocene; diethyl sebacate; sodium sulfate; at 60 ℃; for 3.16667h; Concentration; Temperature;

Reference yield: 86.0%

5-methoxy-4,7-phenanthroline hydrogen sulfate → phanquinone (84-12-8)

Guidance literature:

With sulfuric acid; nitric acid; at 96 ℃; for 10h;

DOI:10.1039/b512625h

Reference yield: 82.0%

5-methoxy-[4,7]phenanthroline (951-06-4) → phanquinone (84-12-8)

Guidance literature:

With sulfuric acid; nitric acid; at 96 ℃; for 2h;

DOI:10.1055/s-1997-956

upstream raw materials:

5-methoxy-[4,7]phenanthroline

sulfuric acid

nitric acid

2-methoxy-1,4-phenylenediamine sulfate

Downstream raw materials:

[4,7]phenanthroline-5,6-diol

4-methyl-benzaldehyde

4,7-phenanthrolino-5,6:5’,6'-pyrazine

2,4-Dimethoxybenzaldehyde

Refernces

• 1、 D'Alessandro, Deanna M.,Keene, F. Richard. "Intervalence charge transfer in a "chain-like" ruthenium trinuclear assembly based on the bridging ligand 4,7-phenanthrolino-5,6: 5′,6′-pyrazine (ppz)". . p. 1060 - 1072. Retrieved 2007/10/03.
• 2、 Imor, Susan,Morgan, Robert J.,Wang, Sihe,Morgan, Oma,Baker. "An improved preparation of 4,7-phenanthrolino-5,6:5′,6′-pyrazine". . p. 2197 - 2203. Retrieved 2007/10/03.