(2E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one

Base Information

• Chemical Name: (2E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one
• CAS No.: 1161-23-5
• Molecular Formula: C₁₇H₁₆N₂O₃
• Molecular Weight: 296.326
• NSC Number: 166436
• Nikkaji Number: J402.921F,J2.693.449D
• ChEMBL ID: CHEMBL142840
• Mol file: 1161-23-5.mol

Synonyms:20431-58-7;(2E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one;4-(Dimethylamino)-4'-nitrochalcone;1161-23-5;3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(4-(Dimethylamino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one;trans-4-(Dimethylamino)-4'-nitrochalcone;3-(4-(Dimethylamino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one;(E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one;NSC166436;CHEMBL142840;SCHEMBL7196575;(E)-3-(4-dimethylaminophenyl)-1-(4-nitrophenyl)prop-2-en-1-one;MFCD01232245;AKOS001324790;NSC-166436;(E)-4-(Dimethylamino)-4'-nitrochalcone;PS-10378;CS-0449366;EN300-40915;Z46032805

Chemical Property of (2E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 4.6E-10mmHg at 25°C
• Boiling Point: 498.3°C at 760 mmHg
• Flash Point: 255.1°C
• Density: 1.236g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 296.11609238
• Heavy Atom Count: 22
• Complexity: 412

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

Technology Process of (2E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one

There total 4 articles about (2E)-3-[4-(dimethylamino)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one 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%

4-dimethylamino-benzaldehyde (100-10-7) + (4-nitrophenyl)ethanone (100-19-6) → (E)-3-(4-(N,N-dimethylamino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one (1161-23-5,20431-58-7)

Guidance literature:

(4-nitrophenyl)ethanone; With sodium hydroxide; In ethanol; for 0.333333h; Cooling with ice;

4-dimethylamino-benzaldehyde; In ethanol; at 20 ℃;

DOI:10.1590/S0103-50532013000100018

Reference yield: 88.0%

4-dimethylamino-benzaldehyde (100-10-7) + (4-nitrophenyl)ethanone (100-19-6) → 3-(4-(dimethylamino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one (1161-23-5,20431-58-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 0.00416667h; Microwave irradiation;

Reference yield: 32.0%

→ (E)-3-(4-(N,N-dimethylamino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one (1161-23-5,20431-58-7)

Guidance literature:

upstream raw materials:

4-dimethylamino-benzaldehyde

(4-nitrophenyl)ethanone

Downstream raw materials:

4-Dimethylamino-4'-isothiocyanatochalcon

N,N-dimethyl-4-(3-(4-nitrophenyl)-4,5-dihydro-1Hpyrazol-5-yl)aniline

C₁₉H₂₀N₄O₃

C₂₄H₂₂N₄O₃