1,1,2-Tribenzoylethane

Base Information

• Chemical Name: 1,1,2-Tribenzoylethane
• CAS No.: 1854-56-4
• Molecular Formula: C23H18 O3
• Molecular Weight: 342.394
• DSSTox Substance ID: DTXSID201284437
• Nikkaji Number: J3.224.498J
• Mol file: 1854-56-4.mol

Synonyms:1,1,2-Tribenzoylethane;DTXSID201284437;AKOS024325843;2-Benzoyl-1,4-diphenyl-1,4-butanedione;1854-56-4

Chemical Property of 1,1,2-Tribenzoylethane

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 342.125594432
• Heavy Atom Count: 26
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Technology Process of 1,1,2-Tribenzoylethane

There total 20 articles about 1,1,2-Tribenzoylethane 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: 92.0%

benzil (134-81-6) + Phenyl vinyl ketone (768-03-6,26742-84-7) → 2-benzoyl-1,4-diphenylbutane-1,4-dione (1854-56-4)

Guidance literature:

With 3-(2,4,6-trimethyl-phenyl)-5,6,7,8-tetrahydro-4H-cycloheptathiazol-3-ium perchlorate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 50 ℃; for 12h; Temperature; Reagent/catalyst; Schlenk technique; Inert atmosphere;

DOI:10.1039/c4cc05436a

Reference yield: 85.0%

2-(2-(tert-butylperoxy)-2-phenylethyl)-1,3-diphenylpropane-1,3-dione → 2-benzoyl-1,4-diphenylbutane-1,4-dione (1854-56-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 85 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/ol402509u

Reference yield: 61.0%

sodium dibenzoylmethane (19269-14-8) + phenacyltriphenylbismuthonium tetrafluoroborate → 2-benzoyl-1,4-diphenylbutane-1,4-dione (1854-56-4)

Guidance literature:

In tetrahydrofuran; at -50 - 21 ℃;

DOI:10.1016/S0040-4039(00)61358-8

upstream raw materials:

2-benzoyl-1,4-diphenylbut-2-ene-1,4-dione

2-benzoyl-3-chloro-1,4-diphenyl-but-2-ene-1,4-dione

1,3-diphenylpropanedione

α-bromoacetophenone

Downstream raw materials:

benzoic acid

phenacylacetophenone

bis-[(2,5-diphenyl-[3]furyl)-phenyl-methylene]-hydrazine

2-(α-morpholino-benzyl)-1,4-diphenyl-butane-1,4-dione