1,3-Bis(4-nitrophenyl)acetone

Base Information

• Chemical Name: 1,3-Bis(4-nitrophenyl)acetone
• CAS No.: 15330-76-4
• Molecular Formula: C15H12 N2 O5
• Molecular Weight: 300.271
• NSC Number: 136111
• DSSTox Substance ID: DTXSID30300343
• Nikkaji Number: J2.847.296J
• Wikidata: Q82043324
• Mol file: 15330-76-4.mol

Synonyms:1,3-bis(4-nitrophenyl)acetone;15330-76-4;p-nitrobenzyl ketone;NSC136111;SCHEMBL6932662;DTXSID30300343;AKOS024286249;NSC-136111

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

Chemical Property:

• Vapor Pressure: 5.01E-10mmHg at 25°C
• Boiling Point: 497.3°C at 760 mmHg
• Flash Point: 243.1°C
• Density: 1.363g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 300.07462149
• Heavy Atom Count: 22
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

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

There total 8 articles about 1,3-Bis(4-nitrophenyl)acetone 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: 84.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (4-nitrophenyl)diazomethane (19479-80-2) → 1,3-bis-(4-nitrophenyl)-propan-2-one (15330-76-4)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In toluene; at -20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/jo401377a

Reference yield: 49.0%

4-nitrobenzeneacetic acid (104-03-0) → 1,3-bis-(4-nitrophenyl)-propan-2-one (15330-76-4)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1080/00032719808006472

Reference yield:

6-(4-nitro-benzyl)-3,5-bis-(4-nitro-phenyl)-pyran-2,4-dione → 4-nitrobenzeneacetic acid (104-03-0) + 1,3-bis-(4-nitrophenyl)-propan-2-one (15330-76-4)

Guidance literature:

at 160 ℃;

upstream raw materials:

1,3-Diphenylpropanone

4-nitrobenzeneacetic acid

nitric acid

acetic anhydride

Downstream raw materials:

1,3-bis(4-nitrophenyl)cyclopentaphenanthren-2-one

2,8-Dioxo-1,3-bis-<4-nitrophenyl>-2,8-dihydro-cyclopent(a)inden

4-nitro-benzoic acid

1,3-bis(4-(tert-butoxycarbonylamino)phenyl)propan-2-one