1,4-Bis(3-nitrophenyl)butane-1,4-dione

Base Information

Chemical Name:1,4-Bis(3-nitrophenyl)butane-1,4-dione
CAS No.:55959-76-7
Molecular Formula:C16H12N2O6
Molecular Weight:328.281
Hs Code.:
DSSTox Substance ID:DTXSID00519980
Wikidata:Q82383552

Synonyms:1,4-bis(3-nitrophenyl)butane-1,4-dione;55959-76-7;SCHEMBL1986403;DTXSID00519980;KYKNAJUWCUJKFD-UHFFFAOYSA-N

Suppliers and Price of 1,4-Bis(3-nitrophenyl)butane-1,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,4-Bis(3-nitrophenyl)butane-1,4-dione

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:328.06953611
Heavy Atom Count:24
Complexity:464

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1,4-Bis(3-nitrophenyl)butane-1,4-dione

There total 3 articles about 1,4-Bis(3-nitrophenyl)butane-1,4-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: 90.0%

: 109-89-7
diethylamine

: 2227-64-7
3'-nitro-2-bromoacetophenone

: 121-89-1
3-Nitroacetophenone

: 7646-85-7,24359-56-6
zinc(II) chloride

: 55959-76-7
1,4-bis(3-nitrophenyl)-1,4-butanedione

Guidance literature:: With sodium chloride; sulfuric acid; In methanol; water; tert-butyl alcohol; benzene;

Reference yield: 41.0%

: 495-71-6
phenacylacetophenone

: 55959-76-7
1,4-bis(3-nitrophenyl)-1,4-butanedione

Guidance literature:: With nitric acid; at -40 ℃; for 0.666667h;

Reference yield:

: 4070-75-1
1,4-diphenyl-but-2-ene-1,4-dione

: 55959-76-7
1,4-bis(3-nitrophenyl)-1,4-butanedione

Guidance literature:: Multi-step reaction with 2 steps

1: 66.5 percent / H₂, conc. HCl / 5percent Pd/C / propan-2-ol / 0.5 h / 2585.7 Torr

2: 41 percent / fuming HNO₃ / 0.67 h / -40 °C

With hydrogenchloride; hydrogen; nitric acid; palladium on activated charcoal; In isopropyl alcohol;