5-Ethoxy-4-fluoro-2-nitroaniline

Base Information

• Chemical Name: 5-Ethoxy-4-fluoro-2-nitroaniline
• CAS No.: 125163-13-5
• Molecular Formula: C8H9FN2O3
• Molecular Weight: 200.16700
• Hs Code.: 2922299090
• European Community (EC) Number: 634-133-6
• DSSTox Substance ID: DTXSID60399265
• Wikidata: Q82201693
• Mol file: 125163-13-5.mol

Synonyms:5-ethoxy-4-fluoro-2-nitroaniline;125163-13-5;Benzenamine, 5-ethoxy-4-fluoro-2-nitro- (9CI);SCHEMBL1538970;DTXSID60399265;IXBTZWMWZZYTIT-UHFFFAOYSA-N;AKOS024324301

Chemical Property of 5-Ethoxy-4-fluoro-2-nitroaniline

Chemical Property:

• PSA: 81.07000
• LogP: 2.81920
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 200.05972032
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-ETHOXY-4-FLUORO-2-NITROANILINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])F

Technology Process of 5-Ethoxy-4-fluoro-2-nitroaniline

There total 3 articles about 5-Ethoxy-4-fluoro-2-nitroaniline 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: 85.0%

ethanol (64-17-5) + 4,5-difluoro-2-nitroaniline (78056-39-0) → 5-Ethoxy-4-fluoro-2-nitroaniline (125163-13-5)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 1h;

DOI:10.1055/s-0032-1317782

Reference yield:

3,4-difluoroacetanilide (458-11-7) → 5-Ethoxy-4-fluoro-2-nitroaniline (125163-13-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / HNO₃, H₂SO₄ / 1 h / 5 - 10 °C

2: 70 percent / HCl / ethanol / 2 h / Heating

3: 50 percent / sodium metal / 3 h / Heating

With hydrogenchloride; sulfuric acid; nitric acid; sodium; In ethanol;

DOI:10.1248/cpb.37.1517

Reference yield:

N-(3,4-difluoro-2-nitrophenyl)acetamide (1662-21-1) → 5-Ethoxy-4-fluoro-2-nitroaniline (125163-13-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / HCl / ethanol / 2 h / Heating

2: 50 percent / sodium metal / 3 h / Heating

With hydrogenchloride; sodium; In ethanol;

DOI:10.1248/cpb.37.1517

upstream raw materials:

ethanol

4,5-difluoro-2-nitroaniline

3,4-difluoroacetanilide

N-(3,4-difluoro-2-nitrophenyl)acetamide

Downstream raw materials:

4-Ethoxy-5-fluoro-1,2-phenylenediamine