1-(4-Methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione
• CAS No.: 38502-65-7
• Molecular Formula: C16H13NO5
• Molecular Weight: 299.283
• NSC Number: 61624
• DSSTox Substance ID: DTXSID00959367
• Nikkaji Number: J2.912.013G
• Wikidata: Q82940086
• Mol file: 38502-65-7.mol

Synonyms:1-(4-methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione;38502-65-7;NSC61624;NCIOpen2_002570;SCHEMBL11974558;DTXSID00959367;SDBZUDCLSHEYEN-UHFFFAOYSA-N;NSC-61624;AKOS024325778;1-(4-nitrophenyl)-3-(4-methoxyphenyl)propan-1,3-dione;1-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3-propanedione;1,3-Propanedione, 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-

Chemical Property of 1-(4-Methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione

Chemical Property:

• Vapor Pressure: 2.62E-10mmHg at 25°C
• Boiling Point: 504.6°C at 760 mmHg
• Flash Point: 223.6°C
• Density: 1.285g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 299.07937252
• Heavy Atom Count: 22
• Complexity: 415

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(4-Methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione

There total 8 articles about 1-(4-Methoxyphenyl)-3-(4-nitrophenyl)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: 84.0%

4-nitrobenzaldehdye (555-16-8) + 2-Bromo-4'-methoxyacetophenone (2632-13-5) → 1-(4-nitrophenyl)-3-(4-methoxyphenyl)propane-1,3-dione (38502-65-7)

Guidance literature:

With 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 0.266667h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.10.175

Reference yield: 43.0%

4-nitro-benzoyl chloride (122-04-3) + copper(II) anisoylacetonate → 1-(4-nitrophenyl)-3-(4-methoxyphenyl)propane-1,3-dione (38502-65-7)

Guidance literature:

In chloroform; Heating;

Reference yield:

4-nitro-benzoyl chloride (122-04-3) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 1-(4-nitrophenyl)-3-(4-methoxyphenyl)propane-1,3-dione (38502-65-7)

Guidance literature:

1-(4-methoxyphenyl)ethanone; With lithium hexamethyldisilazane; In tetrahydrofuran; toluene; at 0 ℃; Inert atmosphere; Cooling with ice;

4-nitro-benzoyl chloride; In tetrahydrofuran; N,N-dimethyl-formamide; toluene; Inert atmosphere; Cooling with ice;

DOI:10.1002/ardp.201200057

upstream raw materials:

3-(4-nitrophenyl)-1-(4-methoxyphenyl)-2,3-dibromo-1-propanone

4-nitro-benzoyl chloride

4-nitrobenzaldehdye

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

β-ethoxy-4'-methoxy-4-nitro-trans-chalcone

2,2-Dimethyl-1-(4'-methoxyphenyl)-3-(4-nitrophenyl)-1,3-propanedione

4-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]phenol

C₁₇H₁₄BrN₃O₃