[4-(Dimethylamino)phenyl](4-nitrophenyl)methanone

Base Information

• Chemical Name: [4-(Dimethylamino)phenyl](4-nitrophenyl)methanone
• CAS No.: 1226-45-5
• Molecular Formula: C15H14 N2 O3
• Molecular Weight: 270.2833
• NSC Number: 92816
• DSSTox Substance ID: DTXSID20293896
• Wikidata: Q82032897
• Mol file: 1226-45-5.mol

Synonyms:[4-(dimethylamino)phenyl](4-nitrophenyl)methanone;1226-45-5;[4-(dimethylamino)phenyl]-(4-nitrophenyl)methanone;NSC 92816;(4-(Dimethylamino)phenyl)(4-nitrophenyl)methanone;NSC92816;SCHEMBL6326580;DTXSID20293896;NSC-92816;A805023;(4-dimethylamino-phenyl)-(4-nitro-phenyl)-methanone

Chemical Property of [4-(Dimethylamino)phenyl](4-nitrophenyl)methanone

Chemical Property:

• Vapor Pressure: 2.56E-08mmHg at 25°C
• Boiling Point: 450.8°Cat760mmHg
• Flash Point: 226.4°C
• Density: 1.243g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 270.10044231
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [4-(Dimethylamino)phenyl](4-nitrophenyl)methanone

There total 6 articles about [4-(Dimethylamino)phenyl](4-nitrophenyl)methanone 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: 87.0%

4-Dimethylamino-4'-nitro-benzhydrol → (4-(dimethylamino)phenyl)(4-nitrophenyl)methanone (1226-45-5)

Guidance literature:

With sodium hydrogencarbonate; Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1002/adsc.202000821

Reference yield:

4-nitrobenzanilide (3460-11-5) → (4-(dimethylamino)phenyl)(4-nitrophenyl)methanone (1226-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus pentachloride

2: aluminium chloride; carbon disulfide / Erhitzen des Reaktionsprodukts mit heisser wss. Salzsaeure

With carbon disulfide; aluminium trichloride; phosphorus pentachloride;

DOI:10.1039/jr9320000650

Reference yield:

4-nitro-benzoic acid (62-23-7) → (4-(dimethylamino)phenyl)(4-nitrophenyl)methanone (1226-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus (V)-chloride / und anschliessend mit N.N-Dimethyl-anilin (oder Pyridin) und mit Anilin

2: phosphorus oxychloride / Erhitzen des Reaktionsprodukts mit heisser wss. Salzsaeure

With phosphorus pentachloride; trichlorophosphate;

DOI:10.1006/jmbi.2001.4706

upstream raw materials:

4-nitrobenzanilide

N,N-dimethyl-aniline

4-Nitro-N-phenyl-benzimidoyl chloride

trichlorophosphate

Downstream raw materials:

4-aminophenyl-[4'-(dimethylamino)phenyl] methanone

N,N-dimethyl-4-(4-nitrobenzyl)aniline