1,6-Pyrenedione

Base Information

• Chemical Name: 1,6-Pyrenedione
• CAS No.: 1785-51-9
• Molecular Formula: C16H8 O2
• Molecular Weight: 232.238
• Hs Code.: 2914399090
• European Community (EC) Number: 217-238-8
• NSC Number: 142616
• UNII: EU5GO38I7H
• DSSTox Substance ID: DTXSID4061967
• Nikkaji Number: J203.180I
• Wikidata: Q27155495
• Mol file: 1785-51-9.mol

Synonyms:1,6-pyrenedione;1,6-pyrenequinone;pyrene-1,6-quinone

Chemical Property of 1,6-Pyrenedione

Chemical Property:

• Vapor Pressure: 2.4E-09mmHg at 25°C
• Refractive Index: 1.4700 (estimate)
• Boiling Point: 479.2°Cat760mmHg
• Flash Point: 177.8°C
• PSA: 34.14000
• Density: 1.439g/cm³
• LogP: 3.25880
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 232.052429494
• Heavy Atom Count: 18
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=CC=C4C3=C1C=CC4=O)C=CC2=O

Technology Process of 1,6-Pyrenedione

There total 17 articles about 1,6-Pyrenedione 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: 70.0%

pyrene (129-00-0) → pyrene-1,6-dione (1785-51-9) + 1,1'-dipyrenyl (5101-26-8)

Guidance literature:

With copper(II) bis(tetrafluoroborate); In acetonitrile; for 0.0833333h; Heating;

DOI:10.1134/S107042800708012X

Reference yield: 60.0%

1-hydroxypyrene (5315-79-7) → pyrene-1,6-dione (1785-51-9) + pyrene-1,8-dione (2304-85-0)

Guidance literature:

With oxone; In water; acetonitrile; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.5b00292

Reference yield: 48.0%

pyrene (129-00-0) → pyrene-1,6-dione (1785-51-9) + pyrene-1,8-dione (2304-85-0) + pyrene-4,5-dione (6217-22-7)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In water; acetic acid; for 4h; Reflux;

DOI:10.1039/d0gc02000a

upstream raw materials:

pyrene

1,6-dihydroxypyrene

1,6-diaminopyrene

iodoxybenzene

Downstream raw materials:

1,6-dihydroxypyrene

3-nitro-pyrene-1,6-dione

5H-cyclopentaphenalen-5-one

Pyracyclen