1,1',1''-Benzene-1,3,5-triyltris(3-phenylpropan-1-one)

Base Information

• Chemical Name: 1,1',1''-Benzene-1,3,5-triyltris(3-phenylpropan-1-one)
• CAS No.: 50423-37-5
• Molecular Formula: C33H30 O3
• Molecular Weight: 474.599
• NSC Number: 79435
• DSSTox Substance ID: DTXSID90291980
• Wikidata: Q82030089
• Mol file: 50423-37-5.mol

Synonyms:1,1',1''-benzene-1,3,5-triyltris(3-phenylpropan-1-one);50423-37-5;NSC79435;DTXSID90291980;ZAHYRSGQYDWHSG-UHFFFAOYSA-N;NSC-79435;1,1',1''-(benzene-1,3,5-triyl)tris(3-phenylpropan-1-one);1-propanone, 1,1',1''-benzene-1,3,5-triyltris[3-phenyl-

Chemical Property of 1,1',1''-Benzene-1,3,5-triyltris(3-phenylpropan-1-one)

Chemical Property:

• Boiling Point: 663.4°Cat760mmHg
• Flash Point: 277.7°C
• Density: 1.141g/cm³
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 474.21949481
• Heavy Atom Count: 36
• Complexity: 587

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=C(C=C1)CCC(=O)C2=CC(=CC(=C2)C(=O)CCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

Technology Process of 1,1',1''-Benzene-1,3,5-triyltris(3-phenylpropan-1-one)

There total 3 articles about 1,1',1''-Benzene-1,3,5-triyltris(3-phenylpropan-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: 96.0%

5-phenylpent-1-yn-3-one (118584-91-1) → 1,3,5-tris-(3-phenyl-propionyl)-benzene (50423-37-5)

Guidance literature:

dmap; acetylacetone; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1055/s-2007-967997

Reference yield:

3-oxo-butyraldehyde; sodium enolate (41125-09-1,14975-15-6,926-59-0) + benzyl chloride (100-44-7) → 1,3,5-tris-(3-phenyl-propionyl)-benzene (50423-37-5)

Guidance literature:

Multistep reaction;

DOI:10.1021/ja00903a048

Reference yield:

→ 1,3,5-tris-(3-phenyl-propionyl)-benzene (50423-37-5)

Guidance literature:

Benzylaceton I, 1) Ameisensaeureethylester, Natriumethanolat (--> II u. III) 2) Saeure;

upstream raw materials:

3-oxo-butyraldehyde; sodium enolate

benzyl chloride

5-phenylpent-1-yn-3-one

Downstream raw materials:

benzene-1,3,5-tricarboxylic acid

benzoic acid

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