ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Base Information

• Chemical Name: ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
• CAS No.: 1151240-88-8
• Molecular Formula: C12H11F3O3
• Molecular Weight: 260.213
• Mol file: 1151240-88-8.mol

Synonyms:ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate;Benzenebutanoic acid, 2,4,5-trifluoro-b-oxo-, ethyl ester

Chemical Property of ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Chemical Property:

• Boiling Point: 290.4±35.0 °C(Predicted)
• PKA: 9.97±0.46(Predicted)
• PSA: 43.37000
• Density: 1.291±0.06 g/cm3(Predicted)
• LogP: 2.16870
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Oxo-4-(2,4,5-trifluorophenyl)butanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate is used in the preparation of racemic beta-amino esters for use as substrates in the preparation of enantiomeric beta-amino acids.

Technology Process of ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

There total 9 articles about ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate 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: 94.0%

ethanol (64-17-5) + 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione → 3-oxo-4-(2,4,5-trifluorophenyl)-butyric acid ethyl ester (1151240-88-8)

Guidance literature:

In toluene; for 3h; Reflux;

DOI:10.1039/b920731g

Reference yield: 92.5%

2-(2,4,5-trifluorophenyl)acetonitrile (220141-74-2) + bromo(2-ethoxy-2-oxoethyl)zinc (5764-82-9) → 3-oxo-4-(2,4,5-trifluorophenyl)-butyric acid ethyl ester (1151240-88-8)

Guidance literature:

2-(2,4,5-trifluorophenyl)acetonitrile; bromo(2-ethoxy-2-oxoethyl)zinc; at 40 - 45 ℃; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran;

Reference yield: 89.0%

2-(2,4,5-trifluorophenyl)acetyl chloride (1176895-65-0) + ethyl bromoacetate (105-36-2) → 3-oxo-4-(2,4,5-trifluorophenyl)-butyric acid ethyl ester (1151240-88-8)

Guidance literature:

ethyl bromoacetate; With iodine; magnesium; In tetrahydrofuran; at 45 - 50 ℃; Inert atmosphere;

2-(2,4,5-trifluorophenyl)acetyl chloride; With copper(l) iodide; In tetrahydrofuran; at -20 - 5 ℃; Inert atmosphere;

upstream raw materials:

ethanol

2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-[1,3]dioxane-4,6-dione

(2,4,5-trifluorophenyl)acetic acid

ethyl potassium malonate

Downstream raw materials:

3-amino-4-(2,4,5-trifluorophenyl)-but-2-enoic acid ethyl ester

(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid

(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyric acid ethyl ester

ethyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate