3-Oxo-2-phenylbutanoic acid

Base Information

• Chemical Name: 3-Oxo-2-phenylbutanoic acid
• CAS No.: 4433-88-9
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2918300090
• Mol file: 4433-88-9.mol

Synonyms:Benzeneacetic acid, α-acetyl-;2-Acetyl-2-phenylacetic acid;Acetoacetic acid, 2-phenyl- (8CI);2-Phenylacetoacetic acid;3-Oxo-2-phenylbutyric acid;

Chemical Property of 3-Oxo-2-phenylbutanoic acid

Chemical Property:

• Melting Point: 98℃ (benzene ligroine )
• Boiling Point: 303.162 °C at 760 mmHg
• PKA: 3.07±0.10(Predicted)
• Flash Point: 151.374 °C
• PSA: 54.37000
• Density: 1.206 g/cm³
• LogP: 1.44380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Oxo-2-phenylbutanoic acid

There total 5 articles about 3-Oxo-2-phenylbutanoic 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:

1-phenyl-1-cyanopropan-2-one (4468-48-8) → 2-phenylacetoacetic acid (4433-88-9)

Guidance literature:

With hydrogenchloride; In ethanol; Yield given;

Reference yield:

ethyl 2-phenylacetoacetate (5413-05-8) → 2-phenylacetoacetic acid (4433-88-9)

Guidance literature:

With sulfuric acid;

Reference yield:

Ethyl 2-phenylethanoate (101-97-3) → 2-phenylacetoacetic acid (4433-88-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; diethyl ether

2: concentrated sulfuric acid

With diethyl ether; sulfuric acid; sodium;

upstream raw materials:

ethyl 2-phenylacetoacetate

1-phenyl-1-cyanopropan-2-one

sulfuric acid

Ethyl 2-phenylethanoate

Downstream raw materials:

5-phenyl-2,2,6-trimethyl-2h,4h-1,3-dioxin-4-one

methylammonium carbonate

1-phenyl-acetone

Refernces

• 1、 Kubiak, Bernd,Lehnig, Manfred,Neumann, Wilhelm P.,Pentling, Ursula,Zarkadis, Antonios K.. "Sterically Hindered Free Radicals. Part 20. EPR and ENDOR Spectroscopy of α-Carbonyl Radicals". . p. 1443 - 1447. Retrieved 2007/10/02.