1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-

Base Information

• Chemical Name: 1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-
• CAS No.: 68516-49-4
• Molecular Formula: C16H6Br2O4
• Molecular Weight: 422.029
• European Community (EC) Number: 271-156-7
• DSSTox Substance ID: DTXSID6071580
• Nikkaji Number: J332.470B
• Wikidata: Q81999273
• Mol file: 68516-49-4.mol

Synonyms:68516-49-4;1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-;2,7-DIBROMO-1,3,6,8(2H,7H)-PYRENETETRONE;2,7-dibromopyrene-1,3,6,8-tetrone;EINECS 271-156-7;2,7-Dibromo-1,3,6,5-pyrenetetraone;2,7-Dibromopyrene-1,3,6,8(2H,7H)-tetrone;TSCA;2,7-Dibromo-1,3,6,8(2H,7H)pyrenetetrone;SCHEMBL9458960;DTXSID6071580;FT-0610746;ETHYL5-AMINO-1-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLATE;2,7-di-bromo-1,2,3,6,7 ,8-hexahydro-1,3,6,8-tetraoxopyrene

Chemical Property of 1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-

Chemical Property:

• Vapor Pressure: 1.08E-15mmHg at 25°C
• Refractive Index: 1.807
• Boiling Point: 628.2 °C at 760 mmHg
• Flash Point: 228.5 °C
• PSA: 68.28000
• Density: 2.148 g/cm³
• LogP: 3.12480
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 421.86123
• Heavy Atom Count: 22
• Complexity: 501

Purity/Quality:

98%Min ^*data from raw suppliers

2,7-DIBROMO-1,3,6,8(2H,7H)-PYRENETETRONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)C(C4=O)Br)C(=O)C(C2=O)Br

Technology Process of 1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo-

There total 2 articles about 1,3,6,8(2H,7H)-Pyrenetetrone, 2,7-dibromo- 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:

1,3,6,8-tetrabromopyrene (128-63-2) → 2,7-dibromo-1,2,3,6,7,8-hexahydro-1,3,6,8-pyrenetetrone (68516-49-4)

Guidance literature:

With sulfuric acid; at 140 - 150 ℃; Erhitzen des erhaltenen Sulfats mit Wasser auf Siedetemperatur;

Reference yield:

pyrene (129-00-0) → 2,7-dibromo-1,2,3,6,7,8-hexahydro-1,3,6,8-pyrenetetrone (68516-49-4)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine; nitrobenzene / 120 °C

2: concentrated sulfuric acid / 140 - 150 °C / Erhitzen des erhaltenen Sulfats mit Wasser auf Siedetemperatur

With sulfuric acid; bromine; nitrobenzene;

Reference yield:

2,7-dibromo-1,2,3,6,7,8-hexahydro-1,3,6,8-pyrenetetrone (68516-49-4) → 1,3,6,8-tetrakis-benzoyloxy-pyrene

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH; zinc-powder / Leiten von Luft durch die Reaktionsloesung

2: N_.N-dimethyl-aniline

With sodium hydroxide; N,N-dimethyl-aniline; zinc;

upstream raw materials:

1,3,6,8-tetrabromopyrene

pyrene