4,5,9,10-Pyrenetetrone

Base Information

• Chemical Name: 4,5,9,10-Pyrenetetrone
• CAS No.: 14727-71-0
• Molecular Formula: C16H6O4
• Molecular Weight: 262.221
• DSSTox Substance ID: DTXSID40458809
• Nikkaji Number: J1.517.155C
• Wikidata: Q82282338
• Mol file: 14727-71-0.mol

Synonyms:4,5,9,10-Pyrenetetrone;14727-71-0;Pyrene-4,5,9,10-tetrone;Pyrene-4,5,9,10-tetraone;YSWG406;SCHEMBL1445657;DTXSID40458809;FQVOWPCGHLYSLB-UHFFFAOYSA-N;AKOS027325552;BS-50805;CS-0111096;E76415;A898789;4,5,9,10-TETRAHYDROPYRENE-4,5,9,10-TETRONE

Chemical Property of 4,5,9,10-Pyrenetetrone

Chemical Property:

• Appearance/Colour: pharmaceutical; OLED intermediate
• Melting Point: >350 oC**
• Boiling Point: 545.9±20.0 °C(Predicted)
• PSA: 68.28000
• Density: 1.604±0.06 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: 0.85200
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 262.02660867
• Heavy Atom Count: 20
• Complexity: 443

Purity/Quality:

≥99% ^*data from raw suppliers

Pyrene-4,5,9,10-tetraone 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C(=O)C(=O)C4=CC=CC(=C43)C(=O)C2=O

Technology Process of 4,5,9,10-Pyrenetetrone

There total 6 articles about 4,5,9,10-Pyrenetetrone 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: 68.8%

pyrene (129-00-0) → pyrene-4,5,9,10-tetraone (14727-71-0)

Guidance literature:

With sodium periodate; rhodium(III) chloride hydrate; In dichloromethane; water; acetonitrile; at 35 ℃; for 3h;

DOI:10.1002/chem.202103808

Reference yield: 40.0%

pyrene (129-00-0) → pyrene-4,5,9,10-tetraone (14727-71-0) + pyrene-4,5-dione (6217-22-7)

Guidance literature:

With sodium periodate; ruthenium(III) trichloride hydrate; In dichloromethane; water; acetonitrile; at 45 ℃; for 72h;

DOI:10.1002/anie.201910288

Reference yield: 36.0%

pyrene-4,5-dione (6217-22-7) → pyrene-4,5,9,10-tetraone (14727-71-0)

Guidance literature:

With ruthenium trichloride; sodium periodate; In dichloromethane; acetonitrile; at 30 - 40 ℃;

DOI:10.1021/jo048509q

upstream raw materials:

pyrene-4,5-dione

pyrene

Downstream raw materials:

C₉₆H₁₁₀N₈O₄

C₅₆H₅₈N₄O₄

C₉₂H₁₁₀N₄O₄

C₅₄H₅₈N₂O₄