5-Oxo-2,5-diphenylpentanoic acid

Base Information

• Chemical Name: 5-Oxo-2,5-diphenylpentanoic acid
• CAS No.: 27687-47-4
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.312
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID70702221
• Nikkaji Number: J88.511H
• Mol file: 27687-47-4.mol

Synonyms:27687-47-4;4-Benzoyl-2-phenylbutyric acid;DTXSID70702221;5-oxo-2,5-diphenylpentanoic acid

Chemical Property of 5-Oxo-2,5-diphenylpentanoic acid

Chemical Property:

• Melting Point: 130-131 °C
• Boiling Point: 470.8±38.0 °C(Predicted)
• PKA: 4.12±0.10(Predicted)
• PSA: 54.37000
• Density: 1.184±0.06 g/cm3(Predicted)
• LogP: 3.51790
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• 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: C1=CC=C(C=C1)C(CCC(=O)C2=CC=CC=C2)C(=O)O

Technology Process of 5-Oxo-2,5-diphenylpentanoic acid

There total 5 articles about 5-Oxo-2,5-diphenylpentanoic acid 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:

2-phenylglutaric anhydride (2959-96-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 5-oxo-2,5-diphenyl-valeric acid (27687-47-4)

Guidance literature:

With aluminum tri-bromide;

DOI:10.1021/ja01177a074

Reference yield:

5-oxo-2,5-diphenylpentanenitrile (22228-41-7) → 5-oxo-2,5-diphenyl-valeric acid (27687-47-4)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1039/j39690000390

Reference yield:

3-(dimethylamino)propiophenone hydrochloride (879-72-1) → 5-oxo-2,5-diphenyl-valeric acid (27687-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH / ethanol

2: aq. KOH / ethanol

With potassium hydroxide; In ethanol;

DOI:10.1039/j39690000390

upstream raw materials:

2-phenylglutaric anhydride

benzene

5-oxo-2,5-diphenylpentanenitrile

3-(dimethylamino)propiophenone hydrochloride