4,4'-Dinitrochalcone

Base Information

• Chemical Name: 4,4'-Dinitrochalcone
• CAS No.: 25870-67-1
• Molecular Formula: C₁₅H₁₀N₂O₅
• Molecular Weight: 298.255
• NSC Number: 54890
• DSSTox Substance ID: DTXSID901031005
• Nikkaji Number: J404.657I,J404.658G,J902.240F
• ChEMBL ID: CHEMBL144962
• Mol file: 25870-67-1.mol

Synonyms:4,4'-Dinitrochalcone;25870-67-1;CCRIS 1673;CHALCONE, 4,4'-DINITRO-;(E)-1,3-bis(4-nitrophenyl)prop-2-en-1-one;2-Propen-1-one, 1,3-bis(4-nitrophenyl)-;(2E)-1,3-bis(4-nitrophenyl)prop-2-en-1-one;NSC54890;CHEMBL144962;SCHEMBL6733848;SCHEMBL6733854;VVTIIOZTCXSWKR-XCVCLJGOSA-N;DTXSID901031005;4-Nitrostyryl 4-nitrophenyl ketone;NSC-54890;AKOS001586695;LS-52910;(2E)-1,3-Di(4-nitrophenyl)-2-propen-1-one;(2Z)-1,3-Di(4-nitrophenyl)-2-propen-1-one;SR-01000078483;SR-01000078483-1

Chemical Property of 4,4'-Dinitrochalcone

Chemical Property:

• Vapor Pressure: 9.7E-10mmHg at 25°C
• Boiling Point: 489.8°Cat760mmHg
• Flash Point: 239.9°C
• PSA: 108.71000
• Density: 1.396g/cm³
• LogP: 4.44550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 298.05897142
• Heavy Atom Count: 22
• Complexity: 450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4,4'-Dinitrochalcone

There total 11 articles about 4,4'-Dinitrochalcone 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: 94.0%

4-nitrobenzaldehdye (555-16-8) + (4-nitrophenyl)ethanone (100-19-6) → 1,3-bis(4-nitrophenyl)prop-2-en-1-one (25870-67-1,102692-42-2,102692-57-9)

Guidance literature:

With sodium phosphate dodecahydrate; In ethanol; water; for 2h; Reflux;

DOI:10.1002/chem.201502995

Reference yield: 80.0%

(E)-4-[4-nitrobenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (61098-06-4) + (4-nitrophenyl)ethanone (100-19-6) → 1,3-bis(4-nitrophenyl)prop-2-en-1-one (25870-67-1,102692-42-2,102692-57-9)

Guidance literature:

With hydrogenchloride; In benzene; for 3h; heating on water bath;

Reference yield: 74.0%

2-(p-Nitrobenzylidenamino)ethanol (19394-08-2) + (4-nitrophenyl)ethanone (100-19-6) → 1,3-bis(4-nitrophenyl)prop-2-en-1-one (25870-67-1,102692-42-2,102692-57-9)

Guidance literature:

With hydrogenchloride; In ethanol; for 12h; Heating;

upstream raw materials:

2-aminopyridine

4-nitrobenzaldehdye

(4-nitrophenyl)ethanone

(E)-4-[4-nitrobenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

Downstream raw materials:

C₂₂H₁₄N₄O₄

1,2,5-tri-(4-nitrophenyl)-1H-pyrazole

2,3-dihydro-2,4-bis(4-nitrophenyl)-1H-benzo[b][1,5]diazepine