Ethyl 2-(3-fluorophenyl)-2-oxoacetate

Base Information

• Chemical Name: Ethyl 2-(3-fluorophenyl)-2-oxoacetate
• CAS No.: 110193-59-4
• Molecular Formula: C10H9FO3
• Molecular Weight: 196.178
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID30377757
• Wikidata: Q72474892
• Mol file: 110193-59-4.mol

Synonyms:110193-59-4;ethyl 2-(3-fluorophenyl)-2-oxoacetate;ethyl 3-fluorobenzoylformate;MFCD01319618;3-Fluoro-oxo-benzeneacetic acid ethyl ester;Ethyl 2-(3-fluorophenyl)-2-oxo-acetate;Ethyl3-fluorobenzoylformate;Benzeneacetic acid,3-fluoro-a-oxo-,ethyl ester;SCHEMBL9954776;DTXSID30377757;Ethyl (3-fluorophenyl)-oxo-acetate;AKOS006275882;ethyl 3-fluorobenzoylformate, AldrichCPR;(3-fluorophenyl)glyoxylic acid ethyl ester;(3-fluorophenyl)oxoacetic acid ethyl ester;CS-0318817;FT-0601415;A802161

Chemical Property of Ethyl 2-(3-fluorophenyl)-2-oxoacetate

Chemical Property:

• Vapor Pressure: 0.00633mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 271.7 °C at 760 mmHg
• Flash Point: 114.6 °C
• PSA: 43.37000
• Density: 1.213 g/cm³
• LogP: 1.57150
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.05357231
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

(3-Fluorophenyl)oxoaceticacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1=CC(=CC=C1)F

Technology Process of Ethyl 2-(3-fluorophenyl)-2-oxoacetate

There total 8 articles about Ethyl 2-(3-fluorophenyl)-2-oxoacetate 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: 75.0%

ethyl 2-diazo-2-(3-fluorophenyl)acetate → ethyl 2-(3-fluorophenyl)-2-oxoacetate (110193-59-4)

Guidance literature:

With copper nanoparticles on activated carbon; oxygen; In 1,2-dichloro-ethane; at 30 ℃; for 36h; Schlenk technique;

DOI:10.1039/d1ob00811k

Reference yield: 69.0%

ethanol (64-17-5) + 1-bromo-2-(meta-fluorophenyl)ethyne (813414-83-4) → ethyl 2-(3-fluorophenyl)-2-oxoacetate (110193-59-4)

Guidance literature:

With oxygen; for 12h; chemoselective reaction; Irradiation;

DOI:10.1039/c9cc04090k

Reference yield: 65.0%

bromo(3-fluorophenyl)magnesium (17318-03-5) + oxalic acid diethyl ester (95-92-1) → ethyl 2-(3-fluorophenyl)-2-oxoacetate (110193-59-4)

Guidance literature:

In diethyl ether; at -78 - 10 ℃;

DOI:10.1021/jo00231a036

upstream raw materials:

bromo(3-fluorophenyl)magnesium

oxalic acid diethyl ester

3-fluorobromobenzene

imidazol-1-yl-oxo-acetic acid ethyl ester

Downstream raw materials:

ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenylimino) acetate

2-(3-fluorophenyl)-2-oxoacetic acid

isopropyl-2-(3-fluorophenyl)-2-oxoacetate

(S)-isopropyl 2-(3-fluorophenyl)-2-hydroxyacetate