1,7-Phenanthroline-5,6-dione

Base Information

• Chemical Name: 1,7-Phenanthroline-5,6-dione
• CAS No.: 82701-91-5
• Molecular Formula: C12H6 N2 O2
• Molecular Weight: 210.192
• Hs Code.: 2933990090
• NSC Number: 370169
• UNII: A7N9X9RN85
• DSSTox Substance ID: DTXSID00231973
• Nikkaji Number: J748.188H
• Wikidata: Q83112990
• Mol file: 82701-91-5.mol

Synonyms:1,7-PAD;1,7-phenanthroline-5,6-dione

Chemical Property of 1,7-Phenanthroline-5,6-dione

Chemical Property:

• Vapor Pressure: 1.66E-08mmHg at 25°C
• Boiling Point: 456.1°C at 760 mmHg
• Flash Point: 229.1°C
• PSA: 59.92000
• Density: 1.444g/cm³
• LogP: 1.52260
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 210.042927438
• Heavy Atom Count: 16
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=O)C(=O)C3=C2N=CC=C3)N=C1

Technology Process of 1,7-Phenanthroline-5,6-dione

There total 6 articles about 1,7-Phenanthroline-5,6-dione 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:

5,6-dihydroxy-1,7-phenantroline hydrochloride (85565-51-1) → 1,10-phenanthroline-5,6-dione (82701-91-5)

Guidance literature:

With oxygen; potassium carbonate;

DOI:10.1016/S0040-4039(00)96435-9

Reference yield:

2-methyl-1,3-dioxolo<4,5-f><1,7>phenanthroline (112881-53-5) → 1,10-phenanthroline-5,6-dione (82701-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 2 N HCl / 25 h / 55 °C

2: aq. K₂CO₃, O₂

With hydrogenchloride; oxygen; potassium carbonate;

DOI:10.1016/S0040-4039(00)96435-9

Reference yield:

6-hydroxy-1,7-phenanthroline (3697-13-0) → 1,10-phenanthroline-5,6-dione (82701-91-5)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1002/hlca.19500330438

upstream raw materials:

6-hydroxy-1,7-phenanthroline

6-methoxy-1,7-phenantroline

5,6-dihydroxy-1,7-phenantroline hydrochloride

sulfuric acid

Downstream raw materials:

pyrido[2′,3′:5,6]pyrazino[2,3?f][1, 10]phenanthroline

5,6-dihydroxy-1,7-phenantroline hydrochloride

2-Ethyl-1,3-dioxa-4,8-diaza-cyclopenta[l]phenanthrene

2,2-dimethyl-1,3-dioxolo<4,5-f><1,7>phenanthroline

Refernces