3-(4-Methylphenyl)-1,5-diphenylpentane-1,5-dione

Base Information

• Chemical Name: 3-(4-Methylphenyl)-1,5-diphenylpentane-1,5-dione
• CAS No.: 130317-99-6
• Molecular Formula: C24H22O2
• Molecular Weight: 342.437
• DSSTox Substance ID: DTXSID90562985
• Nikkaji Number: J1.825.848J
• Wikidata: Q82447328
• Mol file: 130317-99-6.mol

Synonyms:130317-99-6;3-(4-Methylphenyl)-1,5-diphenylpentane-1,5-dione;DTXSID90562985

Chemical Property of 3-(4-Methylphenyl)-1,5-diphenylpentane-1,5-dione

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 342.161979940
• Heavy Atom Count: 26
• Complexity: 417

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: CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Technology Process of 3-(4-Methylphenyl)-1,5-diphenylpentane-1,5-dione

There total 10 articles about 3-(4-Methylphenyl)-1,5-diphenylpentane-1,5-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: 81.0%

4-methyl-chalcone (4224-87-7) + 1-styrenyloxytrimethylsilane (13735-81-4) → 1,5-diphenyl-3-(p-methylphenyl)-1,5-pentanedione (130317-99-6)

Guidance literature:

With C₂₃H₃₂N₂*H⁽¹⁺⁾*BF₄^(1-); potassium hexamethylsilazane; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1071/CH16566

Reference yield: 78.0%

diphenacyl sulfide (2461-80-5) + 4-methyl-chalcone (4224-87-7) → 1,5-diphenyl-3-(p-methylphenyl)-1,5-pentanedione (130317-99-6)

Guidance literature:

With sodium ethanolate; In neat (no solvent); for 0.0333333h; Microwave irradiation; Green chemistry;

DOI:10.1080/00397911.2011.593106

Reference yield: 72.0%

4-methyl-chalcone (4224-87-7) → 1,5-diphenyl-3-(p-methylphenyl)-1,5-pentanedione (130317-99-6)

Guidance literature:

With copper(l) iodide; sodium hydroxide; In water; N,N-dimethyl-formamide; at 120 ℃; for 8h; Green chemistry;

DOI:10.1039/c5ra09155a

upstream raw materials:

4-methyl-chalcone

P,P-diphenyl-N-(1-phenylethylidene)phosphinic amide

diphenacyl sulfide

acetophenone

Downstream raw materials:

2,6-Diphenyl-4-p-tolyl-4H-pyran-3,5-dicarbaldehyde

1,2-diphenyl-4-p-tolylcyclopentane-1,2-diol

4-(4-methylphenyl)-2,6-diphenylpyridine

4-(4-(bromomethyl)phenyl)-2,6-diphenylpyridine