Ethyl 2-(4-fluoroanilino)acetate

Base Information

• Chemical Name: Ethyl 2-(4-fluoroanilino)acetate
• CAS No.: 2521-99-5
• Molecular Formula: C10H12 F N O2
• Molecular Weight: 197.209
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70351859
• Wikidata: Q82128646
• Mol file: 2521-99-5.mol

Synonyms:2521-99-5;ethyl 2-(4-fluoroanilino)acetate;ethyl [(4-fluorophenyl)amino]acetate;ethyl N-(4-fluorophenyl)glycinate;ethyl 2-((4-fluorophenyl)amino)acetate;ethyl 2-[(4-fluorophenyl)amino]acetate;ethyl[(4-fluorophenyl)amino]acetate;Glycine, N-(4-fluorophenyl)-, ethyl ester;Maybridge1_007502;Oprea1_060547;SCHEMBL5445479;HMS562M22;DTXSID70351859;MFCD00176765;STL191120;AKOS000254156;N-(4-Fluorophenyl)glycine ethyl ester;EE-0012;N-(4-Fluorophenyl)-glycine ethyl ester;BB 0221454;CS-0307789;EN300-07302;(4-fluoro-phenylamino)-acetic acid ethyl ester;(4-Fluoro-phenylamino)-acetic acid ethyl ester;S 14316;J-523057;Z56968885

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

Chemical Property:

• Vapor Pressure: 0.00559mmHg at 25°C
• Boiling Point: 273.9°Cat760mmHg
• PKA: 1.78±0.50(Predicted)
• Flash Point: 119.4°C
• PSA: 38.33000
• Density: 1.187g/cm³
• LogP: 1.87370
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 197.08520679
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl[(4-fluorophenyl)amino]acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC=C(C=C1)F

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

There total 7 articles about Ethyl 2-(4-fluoroanilino)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: 95.0%

diazoacetic acid ethyl ester (623-73-4) + 4-fluoroaniline (371-40-4) → 2-(4-fluorophenylamino)acetic acid ethyl ester (2521-99-5)

Guidance literature:

With meso-tetraphenylporphyrin iron(III) chloride; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c6dt03678c

Reference yield: 93.0%

ethyl bromoacetate (105-36-2) + 4-fluoroaniline (371-40-4) → 2-(4-fluorophenylamino)acetic acid ethyl ester (2521-99-5)

Guidance literature:

With sodium acetate; In ethanol; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.03.039

Reference yield: 75.0%

chloroacetic acid ethyl ester (105-39-5) + 4-fluoroaniline (371-40-4) → 2-(4-fluorophenylamino)acetic acid ethyl ester (2521-99-5)

Guidance literature:

chloroacetic acid ethyl ester; With sodium iodide dihydrate; In acetone; at 20 ℃; for 1h;

4-fluoroaniline; With potassium carbonate; In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.3184/174751913X13729583884275

upstream raw materials:

chloroacetic acid ethyl ester

4-fluoroaniline

glyoxylic acid ethyl ester

ethyl bromoacetate

Downstream raw materials:

2-[(4-fluorophenyl)amino]acetohydrazide

[(4-Fluoro-phenyl)-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid

ethyl 2-[N-(4-fluorophenyl)acetamido]acetate

1-(4-fluorophenyl)-2-(tritylthio)-1H-imidazole-5-carboxylic acid