Ethyl 2-(4-fluoroanilino)-2-oxoacetate

Base Information

• Chemical Name: Ethyl 2-(4-fluoroanilino)-2-oxoacetate
• CAS No.: 69065-91-4
• Molecular Formula: C10H10 F N O3
• Molecular Weight: 211.193
• Hs Code.: 2924299090
• European Community (EC) Number: 671-556-5
• DSSTox Substance ID: DTXSID40379000
• Nikkaji Number: J1.871.903G
• Wikidata: Q82168641
• ChEMBL ID: CHEMBL1362951
• Mol file: 69065-91-4.mol

Synonyms:ethyl 4'-fluorooxanilate

Chemical Property of Ethyl 2-(4-fluoroanilino)-2-oxoacetate

Chemical Property:

• Melting Point: 120-122°C
• PSA: 55.40000
• Density: 1.293 g/cm³
• LogP: 1.40030
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 237

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-(4-fluoroanilino)-2-oxoacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(4-fluoroanilino)-2-oxoacetate

There total 4 articles about Ethyl 2-(4-fluoroanilino)-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: 94.0%

oxalic acid diethyl ester (95-92-1) + 4-fluoroaniline (371-40-4) → ethyl 2-(4-fluorophenylamino)-2-oxoacetate (69065-91-4)

Guidance literature:

With boric acid; In toluene; for 0.5h; Heating;

DOI:10.1021/jf051458t

Reference yield: 86.0%

Ethyl oxalyl chloride (4755-77-5) + 4-fluoroaniline (371-40-4) → ethyl 2-(4-fluorophenylamino)-2-oxoacetate (69065-91-4)

Guidance literature:

With triethylamine; In ethyl acetate; at 0 - 20 ℃; for 15h;

Reference yield: 77.0%

4-fluoroaniline (371-40-4) + acetylenedicarboxylic acid diethyl ester (762-21-0) → ethyl 2-(4-fluorophenylamino)-2-oxoacetate (69065-91-4)

Guidance literature:

With tert.-butylhydroperoxide; rose bengal; In decane; acetonitrile; at 20 ℃; for 48h; Irradiation;

DOI:10.1039/c9ra10555g

upstream raw materials:

oxalic acid diethyl ester

4-fluoroaniline

Ethyl oxalyl chloride

acetylenedicarboxylic acid diethyl ester

Downstream raw materials:

2-((4-fluorophenyl)amino)-2-oxoacetic acid

N¹-(4-fluorophenyl)-N²-((5-(hydroxymethyl)-4-methylthiazol-2-yl)(piperidin-2-yl)methyl)oxalamide hydrochloride

N¹-(4-fluorophenyl)-N²-((5-(2-hydroxyethyl)-4-methylthiazol-2-yl)(piperidin-2-yl)methyl)oxalamide hydrochloride

(4-Fluoro-phenylamino)-thioxo-acetic acid ethyl ester

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