3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione

Base Information

• Chemical Name: 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione
• CAS No.: 27007-55-2
• Molecular Formula: C₁₄H₆N₂O₇
• Molecular Weight: 314.211
• NSC Number: 128637
• DSSTox Substance ID: DTXSID50299189
• Wikidata: Q82041433

Synonyms:27007-55-2;3,9-dinitrodibenzo[c,e]oxepine-5,7-dione;NSC128637;DTXSID50299189;NSC-128637

Chemical Property of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione

Chemical Property:

• Vapor Pressure: 7.16E-14mmHg at 25°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 314.01750053
• Heavy Atom Count: 23
• Complexity: 504

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Technology Process of 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione

There total 3 articles about 3,9-Dinitrodibenzo[c,e]oxepine-5,7-dione 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: 64.0%

4,4'-dinitrodiphenic acid (20246-81-5) → 4,4'-dinitro-2,2'-diphenic acid anhydride (27007-55-2)

Guidance literature:

With acetic anhydride; at 90 ℃; for 24h;

DOI:10.1016/j.tet.2004.03.065

Reference yield:

4,4'-dinitro-2,2'-bis(chlorocarbonyl)-biphenyl (150044-38-5) → 4,4'-dinitro-2,2'-diphenic acid anhydride (27007-55-2)

Guidance literature:

With acetic anhydride;

Reference yield:

→ 4,4'-dinitro-2,2'-diphenic acid anhydride (27007-55-2)

Guidance literature:

4,4'-Dinitro-2,2'-diphensaeure, Acetanhydrid, Δ;

DOI:10.1021/jm00297a062

upstream raw materials:

4,4'-dinitrodiphenic acid

4,4'-dinitro-2,2'-bis(chlorocarbonyl)-biphenyl

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