1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione

Base Information

• Chemical Name: 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione
• CAS No.: 5400-95-3
• Molecular Formula: C15H11NO4
• Molecular Weight: 269.257
• NSC Number: 10412
• DSSTox Substance ID: DTXSID20278880
• Nikkaji Number: J1.228.419E
• Wikidata: Q82011066
• Mol file: 5400-95-3.mol

Synonyms:1-(4-nitrophenyl)-3-phenylpropane-1,3-dione;5400-95-3;1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione;1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione;NSC10412;p-Nitrodibenzoylmethan;Cambridge id 5213825;SCHEMBL9207986;DTXSID20278880;alpha-Benzoyl-4'-nitroacetophenone;NSC 10412;NSC-10412;1,3-Propanedione, 1-(p-nitrophenyl)-3-phenyl-

Chemical Property of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione

Chemical Property:

• Vapor Pressure: 7.91E-09mmHg at 25°C
• Boiling Point: 465.1°Cat760mmHg
• Flash Point: 228.5°C
• PSA: 79.96000
• Density: 1.289g/cm³
• LogP: 3.57370
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 269.06880783
• Heavy Atom Count: 20
• Complexity: 374

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione

There total 24 articles about 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-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: 97.5%

3-N,N-diethylamino-1-p-nitrophenyl-3-phenyl-2-propen-1-one (131293-13-5) → 1-(4-nitro-phenyl)-3-phenyl-propane-1,3-dione (5400-95-3)

Guidance literature:

With hydrogenchloride; In methanol; at 60 - 65 ℃; for 2h;

DOI:10.1007/BF00698504

Reference yield: 97.5%

1-anilino-3-p-nitrophenyl-1-phenyl-1-propen-3-one → 1-(4-nitro-phenyl)-3-phenyl-propane-1,3-dione (5400-95-3)

Guidance literature:

With hydrogenchloride; In methanol; at 60 - 65 ℃; for 2h;

DOI:10.1007/BF00698504

Reference yield: 97.5%

3-p-nitrophenyl-1-piperidino-1-phenyl-1-propen-3-one → 1-(4-nitro-phenyl)-3-phenyl-propane-1,3-dione (5400-95-3)

Guidance literature:

With hydrogenchloride; In methanol; at 60 - 65 ℃; for 2h;

DOI:10.1007/BF00698504

upstream raw materials:

2-benzoyl-1-(4-nitro-phenyl)-3-phenyl-propane-1,3-dione

acetic acid

3-N,N-diethylamino-1-p-nitrophenyl-3-phenyl-2-propen-1-one

4-nitro-benzoyl chloride

Downstream raw materials:

(4-nitro-phenyl)-phenyl-propanetrione

Benzoyl-(4-nitro-benzoyl)-diazomethan

1-(4-aminophenyl)-3-phenylpropane-1,3-dione

2-Benzoyl-1-(4-nitro-phenyl)-5-phenyl-pentane-1,5-dione

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