4,5,9,10-Pyrenetetrone, 2,7-bis(1,1-dimethylethyl)-

Base Information

• Chemical Name: 4,5,9,10-Pyrenetetrone, 2,7-bis(1,1-dimethylethyl)-
• CAS No.: 190843-93-7
• Molecular Formula: C24H22O4
• Molecular Weight: 374.42900
• DSSTox Substance ID: DTXSID90441605
• Nikkaji Number: J844.168E
• Wikidata: Q82258424
• Mol file: 190843-93-7.mol

Synonyms:190843-93-7;4,5,9,10-Pyrenetetrone, 2,7-bis(1,1-dimethylethyl)-;2,7-Di-tert-butylpyrene-4,5,9,10-tetraone;2,7-ditert-butylpyrene-4,5,9,10-tetrone;YSWG333;SCHEMBL1445682;DTXSID90441605;BS-46842;2,7-di-t-butylpyrene-4,5,9,10-tetraone;CS-0110758;2,7-Di-tert-butyl-4,5,9,10-pyrenetetrone;E81347

Chemical Property of 4,5,9,10-Pyrenetetrone, 2,7-bis(1,1-dimethylethyl)-

Chemical Property:

• Melting Point: >300 °C
• Boiling Point: 564.1±50.0 °C(Predicted)
• PSA: 68.28000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 3.44700
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 374.15180918
• Heavy Atom Count: 28
• Complexity: 638

Purity/Quality:

≥99% ^*data from raw suppliers

2,7-Di-tert-butylpyrene-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: CC(C)(C)C1=CC2=C3C(=C1)C(=O)C(=O)C4=CC(=CC(=C43)C(=O)C2=O)C(C)(C)C

Technology Process of 4,5,9,10-Pyrenetetrone, 2,7-bis(1,1-dimethylethyl)-

There total 9 articles about 4,5,9,10-Pyrenetetrone, 2,7-bis(1,1-dimethylethyl)- 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: 74.0%

2,7-di-tert-butyl-4,5-dihydropyrene-4,5-dione (704860-92-4) → 2,7-di-tert-butyl-pyrene-4,5,9,10-tetraone (190843-93-7)

Guidance literature:

With sulfuric acid; iodic acid; In water; acetic acid; at 50 ℃; for 16h;

DOI:10.1039/d0gc02000a

Reference yield: 70.0%

2,7-di-tertbutylpyrene (24300-91-2) → 2,7-di-tert-butyl-pyrene-4,5,9,10-tetraone (190843-93-7)

Guidance literature:

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

DOI:10.1002/chem.202103808

Reference yield: 22.0%

2,7-dibromo-4,5,9,10-tetrahydropyrene (102587-98-4) → 2,7-di-tert-butyl-pyrene-4,5,9,10-tetraone (190843-93-7)

Guidance literature:

With sodium periodate; rhodium(III) chloride hydrate; In dichloromethane; acetonitrile; Inert atmosphere;

DOI:10.1016/j.tet.2014.11.050

upstream raw materials:

2,7-di-tert-butyl-4,5,9,10-tetramethoxy-pyrene

2,7-di-tert-butyl-4,5-dihydropyrene-4,5-dione

2,7-di-tertbutylpyrene

2,7-di-tert-butyl-4,5,9,10-tetrabromopyrene

Downstream raw materials:

C₁₀₄H₁₂₆N₈O₄

C₆₄H₇₄N₄O₄

C₁₀₀H₁₂₆N₄O₄

C₆₂H₇₄N₂O₄