5-Fluoro-2-nitroanilinoacetic acid ethyl ester

Base Information

• Chemical Name: 5-Fluoro-2-nitroanilinoacetic acid ethyl ester
• CAS No.: 55687-24-6
• Molecular Formula: C₁₀H₁₁FN₂O₄
• Molecular Weight: 242.207
• DSSTox Substance ID: DTXSID001232292
• Nikkaji Number: J1.641.195G
• Mol file: 55687-24-6.mol

Synonyms:55687-24-6;SCHEMBL7802433;RFRSVYCGLNMJBT-UHFFFAOYSA-N;DTXSID001232292;AKOS006079157;5-Fluoro-2-nitroanilinoacetic acid ethyl ester;N-(2-nitro-5-fluorophenyl)glycine ethyl ester;N-(5-Fluoro-2-nitrophenyl)glycine ethyl ester;ethyl 2-((5-fluoro-2-nitrophenyl)amino)acetate;Glycine, N-(5-fluoro-2-nitrophenyl)-, ethyl ester

Chemical Property of 5-Fluoro-2-nitroanilinoacetic acid ethyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 242.07028500
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CNC1=C(C=CC(=C1)F)[N+](=O)[O-]

Technology Process of 5-Fluoro-2-nitroanilinoacetic acid ethyl ester

There total 2 articles about 5-Fluoro-2-nitroanilinoacetic acid ethyl ester 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: 58.0%

2,4-Difluoronitrobenzene (446-35-5) + GlyOEt*HCl (459-73-4) → N-(5-fluoro-2-nitrophenyl)glycine ethyl ester (55687-24-6)

Guidance literature:

In benzene; for 20h; Heating;

DOI:10.1021/jm00133a019

Reference yield:

→ N-(5-fluoro-2-nitrophenyl)glycine ethyl ester (55687-24-6)

Guidance literature:

2,6-Difluornitrobenzol, Glycinethylester;

Reference yield: 82.0%

N-(5-fluoro-2-nitrophenyl)glycine ethyl ester (55687-24-6) + sodium thiomethoxide (5188-07-8) → N-<5-(methylthio)-2-nitrophenyl>glycine ethyl ester (55687-25-7)

Guidance literature:

In ethanol; for 1h; Ambient temperature;

DOI:10.1021/jm00133a019

upstream raw materials:

2,4-Difluoronitrobenzene

GlyOEt*HCl

Downstream raw materials:

N-<5-(methylthio)-2-nitrophenyl>glycine ethyl ester

6-fluoro-7-nitroquinoxalin-2⁽¹⁾-one

6-fluoroquinoxalin-2(1H)-one