Ethyl [(3-fluorophenyl)amino](oxo)acetate

Base Information

• Chemical Name: Ethyl [(3-fluorophenyl)amino](oxo)acetate
• CAS No.: 54739-26-3
• Molecular Formula: C10H10FNO3
• Molecular Weight: 211.193
• DSSTox Substance ID: DTXSID50392245
• Nikkaji Number: J1.871.901K
• Wikidata: Q82190305

Synonyms:54739-26-3;ethyl [(3-fluorophenyl)amino](oxo)acetate;ethyl 2-(3-fluoroanilino)-2-oxoacetate;ethyl 2-((3-fluorophenyl)amino)-2-oxoacetate;ethyl [(3-fluorophenyl)carbamoyl]formate;F0904-0113;Acetic acid, 2-[(3-fluorophenyl)amino]-2-oxo-, ethyl ester;SCHEMBL11064084;DTXSID50392245;AKOS000343763;BS-4195;CS-0298756;ethyl2-((3-fluorophenyl)amino)-2-oxoacetate;EN300-235840;2-(3-Fluorophenylamino)glyoxylic acid ethyl ester;Acetic acid, 2-[(3-fluorophenyl)amino]-2-oxo-,;SR-01000510091;A1-00853;SR-01000510091-1

Chemical Property of Ethyl [(3-fluorophenyl)amino](oxo)acetate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.06447134
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)NC1=CC(=CC=C1)F

Technology Process of Ethyl [(3-fluorophenyl)amino](oxo)acetate

There total 3 articles about Ethyl [(3-fluorophenyl)amino](oxo)acetate 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: 81.0%

meta-fluoroaniline (372-19-0) + oxalic acid diethyl ester (95-92-1) → 3-(ethoxalylamino)-1-fluorobenzene (54739-26-3)

Guidance literature:

In toluene; for 3h; Heating;

DOI:10.1021/jf025870+ DOI:10.1021/jf052435h

Reference yield: 62.0%

meta-fluoroaniline (372-19-0) + Ethyl oxalyl chloride (4755-77-5) → 3-(ethoxalylamino)-1-fluorobenzene (54739-26-3)

Guidance literature:

With triethylamine;

DOI:10.1021/jm960387+

Reference yield:

→ 3-(ethoxalylamino)-1-fluorobenzene (54739-26-3)

Guidance literature:

m-Fluoranilin, Ethoxalylchlorid;

upstream raw materials:

meta-fluoroaniline

Ethyl oxalyl chloride

oxalic acid diethyl ester

Downstream raw materials:

N-(5-Fluoro-2-nitro-phenyl)-oxalamic acid ethyl ester

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