2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYL ESTER

Base Information

• Chemical Name: 2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
• CAS No.: 146198-68-7
• Molecular Formula: C₁₃H₁₃FO₄
• Molecular Weight: 252.242
• Hs Code.: 2918300090
• Mol file: 146198-68-7.mol

Synonyms:2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYL ESTER;AKOS MSC-0293

Chemical Property of 2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYL ESTER

Chemical Property:

• Boiling Point: 336.6±27.0 °C(Predicted)
• PKA: 5.85±0.27(Predicted)
• PSA: 60.44000
• Density: 1.208±0.06 g/cm3(Predicted)
• LogP: 1.77670

Purity/Quality:

98%min ^*data from raw suppliers

KE000106:2-(4-Fluoro-benzoyl)-3-oxo-butyricacidethylester 96 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYL ESTER

There total 3 articles about 2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 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:

ethyl acetoacetate (141-97-9) + 4-fluorobenzoyl chloride (403-43-0) → ethyl 2-(4-fluorobenzoyl)acetoacetate (146198-68-7)

Guidance literature:

With tetrachloromethane; ethanol; magnesium; In diethyl ether; at 60 ℃; for 2h; Yield given;

Reference yield:

4-Fluorobenzoic acid (456-22-4) → ethyl 2-(4-fluorobenzoyl)acetoacetate (146198-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 27.5 g / thionyl chloride / CHCl₃ / 8 h / Heating

2: magnesium powder, ethanol, CCl₄ / diethyl ether / 2 h / 60 °C

With tetrachloromethane; thionyl chloride; ethanol; magnesium; In diethyl ether; chloroform;

Reference yield:

→ ethyl 2-(4-fluorobenzoyl)acetoacetate (146198-68-7)

Guidance literature:

upstream raw materials:

ethyl acetoacetate

4-fluorobenzoyl chloride

4-Fluorobenzoic acid

Downstream raw materials:

5-(4-fluoro-phenyl)-3-methyl-isoxazole-4-carboxylic acid amide

5-(4-fluoro-phenyl)-3-methyl-isoxazole-4-carboxylic acid

ethyl N-(4-fluorobenzoyl)acetyl-N-(4-methoxy)benzylglycinate

1-(4-methoxy)benzyl-3-(4-fluoro)benzoyl-2,4-pyrrolidindione

Refernces

• 1、 Tranquillini. "Synthesis of 3-aroyltetramic acids". . p. 1323 - 1333. Retrieved 2007/10/02.