Bis(2-nitrophenyl)ethane-1,2-dione

Base Information

• Chemical Name: Bis(2-nitrophenyl)ethane-1,2-dione
• CAS No.: 133253-56-2
• Molecular Formula: C14H8N2O6
• Molecular Weight: 300.227
• DSSTox Substance ID: DTXSID10578861
• Nikkaji Number: J364.306I
• Wikidata: Q82469193
• Mol file: 133253-56-2.mol

Synonyms:133253-56-2;Bis(2-nitrophenyl)ethane-1,2-dione;SCHEMBL10613860;DTXSID10578861

Chemical Property of Bis(2-nitrophenyl)ethane-1,2-dione

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 300.03823598
• Heavy Atom Count: 22
• Complexity: 437

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Bis(2-nitrophenyl)ethane-1,2-dione

There total 20 articles about Bis(2-nitrophenyl)ethane-1,2-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: 91.0%

2-hydroxy-1,2-bis(2-nitrophenyl)ethanone (59163-44-9) → dimethylsulfide (75-18-3) + 2,2'-dinitrobenzil (133253-56-2)

Guidance literature:

With antimonypentachloride; dimethyl sulfoxide; In nitromethane; for 24h; Ambient temperature;

DOI:10.1246/bcsj.58.470

Reference yield: 89.0%

1,2-bis(2-nitrophenyl)ethyne (25407-11-8) → 2,2'-dinitrobenzil (133253-56-2)

Guidance literature:

With potassium permanganate; tetrabutylammomium bromide; water; acetic acid; In dichloromethane; for 5h; Inert atmosphere;

Reference yield: 23.0%

2,2'-dinitrobibenzyl (16968-19-7) → ortho-nitrobenzoic acid (552-16-9,104810-18-6) + 2,2'-dinitrobenzil (133253-56-2) + 2-nitrobenzyl 2-nitrophenyl ketone (107127-66-2) + dibenzo[c,g][1,2]diazocin-5,6-dione-N,N'-dioxide

Guidance literature:

In benzene; Photolysis;

upstream raw materials:

phenyl benzyl ketone

1-(2-nitrophenyl)-2-phenylethane-1,2-dione

1,2-bis(2-nitrophenyl)ethyne

benzil

Downstream raw materials:

5,5-bis(2-nitrophenyl)imidazolidine-2,4-dione

C₄₁H₂₇N₅

C₃₅H₂₃N₅