Methyl 4-oxo-2,4-diphenylbutanoate

Base Information

• Chemical Name: Methyl 4-oxo-2,4-diphenylbutanoate
• CAS No.: 5344-60-5
• Molecular Formula: C17H16 O3
• Molecular Weight: 268.312
• NSC Number: 1138
• DSSTox Substance ID: DTXSID10277206
• Nikkaji Number: J1.408.445B
• Mol file: 5344-60-5.mol

Synonyms:methyl 4-oxo-2,4-diphenylbutanoate;5344-60-5;NSC1138;Oprea1_488548;DTXSID10277206;NSC 1138;NSC-1138;Methyl 3-benzoyl-2-phenylpropionate;AS-0375

Chemical Property of Methyl 4-oxo-2,4-diphenylbutanoate

Chemical Property:

• Vapor Pressure: 5.45E-07mmHg at 25°C
• Boiling Point: 411.8°C at 760 mmHg
• Flash Point: 182°C
• Density: 1.139g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-oxo-2,4-diphenylbutanoate

There total 35 articles about Methyl 4-oxo-2,4-diphenylbutanoate 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%

methyl (E)-4-phenyl-4-oxo-2-phenylbut-2-enoate (1285705-07-8) → methyl 4-oxo-2,4-diphenylbutanoate (5344-60-5)

Guidance literature:

With ammonium acetate; zinc; In ethanol; water; at 20 ℃;

DOI:10.1021/acs.joc.0c02500

Reference yield: 88.0%

1-styrenyloxytrimethylsilane (13735-81-4) + Methyl phenyldiazoacetate (22979-35-7) → methyl 4-oxo-2,4-diphenylbutanoate (5344-60-5)

Guidance literature:

With copper(II) hexafluoroacetylacetonate; In dichloromethane; at 40 ℃; for 6h; Schlenk technique;

DOI:10.1021/acs.joc.6b00904

Reference yield: 84.0%

Methyl phenyldiazoacetate (22979-35-7) + 4-(1-phenylvinyl)morpholine (7196-01-2) → methyl 4-oxo-2,4-diphenylbutanoate (5344-60-5)

Guidance literature:

With Rh₂[(N-(4-dodecylphenyl)sulfonyl)-(S)-prolinate]4; In dichloromethane; for 3.5h; Heating;

DOI:10.1016/j.tet.2005.03.093

upstream raw materials:

acetyl chloride

4-oxo-2,4-diphenylbutanoic acid

methanol

4-oxo-2,4-diphenylbutanenitrile

Downstream raw materials:

3-bromo-4-oxo-2,4-diphenyl-butyric acid methyl ester

4-oxo-2,4-diphenylbutanoic acid

2,4-diphenyl-γ-butyrolactone

1,3-diphenyl-1,4-butanodiol