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Product Code B3721-250mg
Price $150 ex. VAT

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Covalent Organic Frameworks (COFs) Pyrene Ligand

A 1,2-diketone bridging ligand linker for COFs in application of lithium or sodium ion batteries as cathode (or anode) materials


Pyrene-4,5,9,10-tetraone (PTO) can be considered as oxidised pyrene with two six-membered cyclic 1,2-diketone units that are settled on each bay area of the biphenyl structure. It is a popular candidate engaged in synthesis of the covalent organic frameworks (COFs) and in lithium or sodium ion batteries as cathode (or anode) materials. In combination with carbon nanomaterials such as carbon nanotubes or graphene, pyrene-4,5,9,10-tetraone exhibits high theoretical specific capacity, high redox potential, and the high utility of active sites by forming polymers, immobilising with carbon nanomaterials, changing polarity to form salts, and optimizing electrolytes.

Poly(pyrene-4,5,9,10-tetraone) (PPTO) has been of great interest in battery research. Binary π-conjugated PPTO and carbon nanotubes composites (PPTO–CNTs) electrodes displayed a high discharge capacity of 360.2 mAh g−1, long cycling stability with a capacity retention of 95.1% after 1300 cycles, and high-rate capability of 194.5 mAh g−1 at 10.0 A g−1. Pyrene-4,5,9,10-tetraone based COF with 50 wt % of carbon nanotube (CNT) composite, PT-COF50, achieved a capacity of up to 280 mAh g–1 as normalized to the active COF material at a current density of 200 mA g–1. Furthermore, PT-COF50 exhibited excellent rate performance, delivering a capacity of 229 mAh g–1 at 5000 mA g–1 (18.5C).

MOF and COF ligands

MOF and COF ligands

1,2-diketone ligand for cross-linked COF networks

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High purity 14727-71-0

High purity

>98% High purity

Facile reactions

Facile reactions

readily for amination reactions

General Information

CAS Number 14727-71-0
Chemical Formula C16H6O4
Full Name Pyrene-4,5,9,10-tetraone
Molecular Weight 262.22 g/mol
Synonyms PTO, PYT, 4,5,9,10-Pyrenetetrone
Classification / Family Pyrenes, COF ligands, Battery materials, Cathode materials

Chemical Structure

14727-71-0 - Pyrene-4,5,9,10-tetraone chemical structure
Pyrene-4,5,9,10-tetraone (PTO) Chemical Structure, 14727-71-0

Product Details

Purity >98%
Melting Point N/A
Appearance Yellow to orange powder to flakes/crystals

MSDS Documentation

14727-71-0 - pyrene-4,5,9,10-tetraonePyrene-4,5,9,10-tetraone MSDS Sheet

Literature and Reviews

  1. Polymer-Bound Pyrene-4,5,9,10-tetraone for Fast-Charge and -Discharge Lithium-Ion Batteries with High Capacity, T. Nokami et al., J. Am. Chem. Soc., 134 (48), 19694–19700 (2012); DOI: 10.1021/ja306663g.
  2. A Pyrene-4,5,9,10-Tetraone-Based Covalent Organic Framework Delivers High Specific Capacity as a Li-Ion Positive Electrode, H. Gao et al., J. Am. Chem. Soc., 144 (21), 9434−9442 (2022); DOI: 10.1021/jacs.2c02196.
  3. In Situ Polymerized Conjugated Poly(pyrene-4,5,9,10-tetraone)/Carbon Nanotubes Composites for High-Performance Cathode of Sodium Batteries, R. Shi et al., Adv. Energy Mater., 11 (6), 2002917 (2021); DOI: 10.1002/aenm.202002917.
  4. The synthesis of alternating donor–acceptor polymers based on pyrene-4,5,9,10-tetraone and thiophene derivatives, their composites with carbon, and their lithium storage performances as anode materials, X. Guo et al., RSC Adv., 11, 15044-15053 (2021); DOI: 10.1039/D1RA00794G.
  5. Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone, S. Kawano et al., Chem. Commun., 49, 5058-5060 (2013); DOI: 10.1039/C3CC39141H.
  6. Two-Dimensional (2D) Covalent Organic Framework as Efficient Cathode for Binder-free Lithium-Ion Battery, C. Yao et al., ChemSusChem, 13 (9), 2457-2463 (2020); DOI: 10.1002/cssc.201903007.

To the best of our knowledge the information provided here is accurate. The values provided are typical at the time of manufacture and may vary over time and from batch to batch. Products may have minor cosmetic differences (e.g. to the branding) compared to the photos on our website. All products are for laboratory and research and development use only.

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