Ethyl 2-fluoro-3-oxopentanoate

Base Information

• Chemical Name: Ethyl 2-fluoro-3-oxopentanoate
• CAS No.: 759-67-1
• Molecular Formula: C7H11FO3
• Molecular Weight: 162.161
• Hs Code.: 2918300090
• Mol file: 759-67-1.mol

Synonyms:Valericacid, 2-fluoro-3-oxo-, ethyl ester (6CI,8CI);Ethyl 2-fluoro-3-oxovalerate;Pentanoic acid,2-fluoro-3-oxo-, ethyl ester;

Chemical Property of Ethyl 2-fluoro-3-oxopentanoate

Chemical Property:

• Refractive Index: 1.398
• Boiling Point: 191.7 °C at 760 mmHg
• PKA: 9.14±0.46(Predicted)
• Flash Point: 68.2 °C
• PSA: 43.37000
• Density: 1.077 g/cm³
• LogP: 0.86670

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-fluoro-3-oxopentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 2-fluoro-3-oxopentanoate belongs to ester organic compounds and can be used as pharmaceutical intermediates.

Technology Process of Ethyl 2-fluoro-3-oxopentanoate

There total 8 articles about Ethyl 2-fluoro-3-oxopentanoate 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: 94.6%

2-fluoro-3-oxopentanoic acid-O3,O4-diacetic acid borate + propionyl chloride (79-03-8) → 2-fluoro-3-oxopentanoic acid ethyl ester (759-67-1)

Guidance literature:

Reflux;

Reference yield: 86.0%

ethyl propanoylacetate (4949-44-4) → 2-fluoro-3-oxopentanoic acid ethyl ester (759-67-1)

Guidance literature:

With Selectfluor; In acetonitrile; at 50 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00752

Reference yield: 85.0%

ethyl 2-fluoroacetate (459-72-3) + propionyl chloride (79-03-8) → 2-fluoro-3-oxopentanoic acid ethyl ester (759-67-1)

Guidance literature:

With sodium ethanolate; triethylamine; In tetrahydrofuran; at 15 ℃; for 16h; Solvent; Time; Temperature; Reagent/catalyst;

upstream raw materials:

ethyl 2-fluoroacetate

ethyl bromofluoroacetate

propionyl chloride

ethyl-2-fluoroacetoacetate

Downstream raw materials:

6-ethyl-2-amino-5-fluoro-3H-pyrimidin-4-one

1-(4-chloro-5-fluoropyrimidin-6-yl)bromoethane

6-ethyl-5-fluoro-4-hydroxypyrimidine

voriconazole

Refernces

• 1、 -. "DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST". Paragraph 0664-0666. . Retrieved 2020/07/07.
• 2、 -. "A 4 - (1-bromo-ethyl) - 5-fluoro-6-chloro-pyrimidine synthesis method". Paragraph 0023; 0033; 0034; 0035. . Retrieved 2017/02/23.