3-Benzyl-4-phenylbutan-2-one

Base Information

• Chemical Name: 3-Benzyl-4-phenylbutan-2-one
• CAS No.: 3506-88-5
• Molecular Formula: C17H18 O
• Molecular Weight: 238.329
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID10492674
• Nikkaji Number: J2.847.981F
• Wikidata: Q72442642
• Mol file: 3506-88-5.mol

Synonyms:3-Benzyl-4-phenylbutan-2-one;3506-88-5;3-benzyl-4-phenyl-2-butanone;di-benzyl acetone;3-benzyl-4-phenyl-butan-2-one;Dibenzylaceton;SCHEMBL497369;DTXSID10492674;AKOS015150949;FT-0656303;A822518

Chemical Property of 3-Benzyl-4-phenylbutan-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 345.9 °C at 760 mmHg
• Flash Point: 141.5 °C
• PSA: 17.07000
• Density: 1.036 g/cm³
• LogP: 3.67700
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 238.135765193
• Heavy Atom Count: 18
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

3-BENZYL-4-PHENYLBUTAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of 3-Benzyl-4-phenylbutan-2-one

There total 25 articles about 3-Benzyl-4-phenylbutan-2-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: 95.0%

3-benzyl-4-phenyl-1-(tris-[1,1';3',1'']terphenyl-2'-ylmethyl-silanyl)-butan-2-one (444817-04-3) → 3-benzyl-4-phenyl-2-butanone (3506-88-5)

Guidance literature:

With boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; In dichloromethane; acetonitrile; for 13h; Heating;

DOI:10.1055/s-2002-22722

Reference yield: 82.0%

tert-butyl 2,2-dibenzyl-3-oxobutanoate → 3-benzyl-4-phenyl-2-butanone (3506-88-5) + 2,2-dibenzyl-3-oxobutanoic acid

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 0.5h;

DOI:10.1055/s-0037-1611019

Reference yield:

2,2-dibenzyl-acetoacetic acid ethyl ester (42597-26-2) + hydrogen iodide (10034-85-2) + acetic acid (64-19-7,77671-22-8) → 3-benzyl-4-phenyl-2-butanone (3506-88-5) + ethyl iodide (75-03-6)

Guidance literature:

at 115 ℃;

upstream raw materials:

methyl magnesium iodide

diethyl ether

2-benzyl-3-phenylpropanamide

2-benzyl-1-phenyl-butane-2,3-diol

Downstream raw materials:

2-benzyl-1-phenyl-butane

1,5-dicyclohexylpentane

3-benzyl-4-phenyl-butan-2-one oxime

4-benzyl-1,5-diphenyl-pent-1-en-3-one

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