1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
• CAS No.: 71122-94-6
• Molecular Formula: C15H10BrNO3
• Molecular Weight: 332.153
• DSSTox Substance ID: DTXSID50401523
• Mol file: 71122-94-6.mol

Synonyms:1-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one;71122-94-6;4-nitro-4'-bromochalcone;DTXSID50401523

Chemical Property of 1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 2.42E-08mmHg at 25°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 330.98441
• Heavy Atom Count: 20
• Complexity: 375

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

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)Br)[N+](=O)[O-]

Technology Process of 1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one

There total 11 articles about 1-(4-Bromophenyl)-3-(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: 99.0%

para-bromoacetophenone (99-90-1) + 4-nitrobenzaldehdye (555-16-8) → 1-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (19134-89-5,71122-94-6)

Guidance literature:

With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate; In neat (no solvent); at 120 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2020.152175

Reference yield: 98.0%

para-bromoacetophenone (99-90-1) + 4-nitrobenzaldehdye (555-16-8) → (E)-1-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (71122-94-6)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.0833333h;

DOI:10.1039/c4ra10952j

Reference yield: 87.0%

4-nitrobenzaldehdye (555-16-8) + para-bromophenacyl bromide (99-73-0,132309-76-3) → (E)-1-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (71122-94-6)

Guidance literature:

With samarium; iodine; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1016/0040-4039(93)88082-T

upstream raw materials:

4-(4-bromophenyl)-1,2-diaminoimidazole

1-(p-Bromophenyl)-2,3-dibromo-3-(4-nitrophenyl)propanone

para-bromoacetophenone

4-nitrobenzaldehdye

Downstream raw materials:

1-(4-bromophenyl)-3-(4-nitrophenyl)propan-1-one

(E)-3-(4-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one

trans-(2R,3S)-epoxy-1-(4-bromophenyl)-3-(4-nitrophenyl) propan-1-one