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

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-1,5-diphenylpentane-1,5-dione
• CAS No.: 39659-76-2
• Molecular Formula: C24H22O3
• Molecular Weight: 358.437
• European Community (EC) Number: 652-084-9
• NSC Number: 167934
• DSSTox Substance ID: DTXSID00304878
• Nikkaji Number: J932.960I
• Wikidata: Q82051177
• ChEMBL ID: CHEMBL1507403

Synonyms:3-(4-methoxyphenyl)-1,5-diphenylpentane-1,5-dione;39659-76-2;NSC167934;Maybridge4_003529;Oprea1_828034;MLS000861628;CHEMBL1507403;DTXSID00304878;HMS1531A09;HMS2780F18;CCG-41957;AKOS022192326;NSC-167934;SMR000460412;3-(4-methoxyphenyl)-1,5-diphenyl-1,5-pentanedione;SR-01000631998-1;BRD-K65388245-001-01-9

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

Chemical Property:

• Vapor Pressure: 1.11E-11mmHg at 25°C
• Boiling Point: 538.9°C at 760 mmHg
• Flash Point: 234.8°C
• Density: 1.136g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 358.15689456
• Heavy Atom Count: 27
• Complexity: 434

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(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

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

There total 18 articles about 3-(4-Methoxyphenyl)-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: 94.0%

4-methoxy-benzaldehyde (123-11-5) + acetophenone (98-86-2) → 3-(4-methoxy-phenyl)-1,5-diphenyl-pentane-1,5-dione (39659-76-2) + 3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one (959-33-1)

Guidance literature:

With PEG₄₀₀; sodium hydroxide; In water; at 20 ℃; for 48h;

DOI:10.1246/cl.2005.576

Reference yield: 90.0%

4-methoxy-benzaldehyde (123-11-5) + acetophenone (98-86-2) → 3-(4-methoxy-phenyl)-1,5-diphenyl-pentane-1,5-dione (39659-76-2)

Guidance literature:

With gold(III) chloride; silver hexafluoroantimonate; In methanol; acetonitrile; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol8005634

Reference yield: 88.0%

1-styrenyloxytrimethylsilane (13735-81-4) + p-Anisaldehyde dimethyl acetal (2186-92-7) → 3-(4-methoxy-phenyl)-1,5-diphenyl-pentane-1,5-dione (39659-76-2) + 1-Methoxy-4-[methoxy-(1-phenyl-vinyloxy)-methyl]-benzene

Guidance literature:

With ethenetetracarbonitrile; In acetonitrile; for 1h; Heating;

upstream raw materials:

4-methoxy-benzaldehyde

acetophenone

1-butoxy-4-(4-methoxy-phenyl)-1-oxo-2,6-diphenyl-1λ⁵-phosphinane-2,6-diol

1-styrenyloxytrimethylsilane

Downstream raw materials:

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

1-butoxy-4-(4-methoxy-phenyl)-1-oxo-2,6-diphenyl-1λ⁵-phosphinane-2,6-diol

[1-Hydroxy-3-(4-methoxy-phenyl)-5-oxo-1,5-diphenyl-pentyl]-phosphinic acid

3-(4-methoxy-phenyl)-7-oxo-1,5-diphenyl-6,8-dioxa-7λ⁵-phospha-bicyclo[3.2.1]octan-7-ol

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