Benzenepropanoic acid, b-methyl-a-oxo-

Base Information

• Chemical Name: Benzenepropanoic acid, b-methyl-a-oxo-
• CAS No.: 4658-69-9
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2918300090
• Mol file: 4658-69-9.mol

Synonyms:2-Oxo-3-phenyl-buttersaeure;phenylpyruvic acid;Methyl-phenyl-brenztraubensaeure;2-oxo-3-methyl-3-phenylpropionic acid;

Chemical Property of Benzenepropanoic acid, b-methyl-a-oxo-

Chemical Property:

• Melting Point: 95 °C (decomp)
• Boiling Point: 296.5±19.0 °C(Predicted)
• PSA: 54.37000
• Density: 1.205±0.06 g/cm3(Predicted)
• LogP: 1.44380

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepropanoic acid, b-methyl-a-oxo-

There total 18 articles about Benzenepropanoic acid, b-methyl-a-oxo- 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: 96.0%

2-carbonyl-3-phenylbutyric acid ethyl ester (24441-66-5) → α-keto-β-phenylbutyric acid (4658-69-9)

Guidance literature:

With lithium hydroxide monohydrate; In ethanol; at 20 ℃; for 3h;

Reference yield: 84.0%

carbon monoxide (201230-82-2) + (1-bromoethyl)benzne (585-71-7,38661-81-3) → hydratropic acid (492-37-5,2328-24-7) + α-keto-β-phenylbutyric acid (4658-69-9) + 3-Phenylpropionic acid (501-52-0)

Guidance literature:

With calcium hydroxide; dicobalt octacarbonyl; In tert-Amyl alcohol; water; at 25 ℃; under 1368 Torr; Yields of byproduct given; 1.8 atm of CO, var.: solvent, temperature, pressure;

DOI:10.1016/0022-328X(86)80020-1

Reference yield: 75.0%

2-Aethoxy-3-methyl-zimtsaeure-aethylester (22122-01-6) → α-keto-β-phenylbutyric acid (4658-69-9)

Guidance literature:

2-Aethoxy-3-methyl-zimtsaeure-aethylester; With lithium hydroxide monohydrate; In methanol; water; at 90 ℃; for 10h;

With hydrogenchloride; acetic acid; In water; at 100 ℃; for 1.5h;

DOI:10.1002/anie.202105656

upstream raw materials:

Methyl-phenyl-brenztraubensaeureamid

carbon monoxide

(1-chloroethyl)benzene

(1-bromoethyl)benzne

Downstream raw materials:

(S)-2-amino-3(RS)-methyl-3-phenylpropioic acid

3-methyl-3-phenyl-2-oxobutanoic acid

(βR)-N-(tert-butoxycarbonyl)-β-methyl-L-phenylalanine