(2-Fluoro-4-nitrophenoxy)acetic acid

Base Information

• Chemical Name: (2-Fluoro-4-nitrophenoxy)acetic acid
• CAS No.: 399-45-1
• Molecular Formula: C8H6 F N O5
• Molecular Weight: 215.1353
• NSC Number: 190639
• DSSTox Substance ID: DTXSID80307286
• Wikidata: Q82054658
• Mol file: 399-45-1.mol

Synonyms:399-45-1;2-(2-fluoro-4-nitrophenoxy)acetic acid;(2-fluoro-4-nitrophenoxy)acetic acid;NSC190639;DTXSID80307286;NSC-190639;EN300-1627660

Chemical Property of (2-Fluoro-4-nitrophenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 1.75E-07mmHg at 25°C
• Boiling Point: 410.7°C at 760 mmHg
• Flash Point: 202.2°C
• Density: 1.529g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 215.02300045
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Fluoro-4-nitrophenoxy)acetic acid

There total 3 articles about (2-Fluoro-4-nitrophenoxy)acetic acid 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: 87.0%

ethyl 2-(2-fluoro-4-nitrophenoxy)acetate (805237-87-0) → 2-(2-fluoro-4-nitrophenoxy)acetic acid (399-45-1)

Guidance literature:

With sodium hydroxide; In ethanol; Reflux;

DOI:10.1016/j.biopha.2017.08.105

Reference yield:

(2-fluorophenoxy)acetic acid (348-10-7) → 2-(2-fluoro-4-nitrophenoxy)acetic acid (399-45-1)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/ja01510a021

Reference yield:

2-fluoro-4-nitrophenol (403-19-0) → 2-(2-fluoro-4-nitrophenoxy)acetic acid (399-45-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 10 h / Reflux

2: sodium hydroxide / ethanol / Reflux

With potassium carbonate; sodium hydroxide; In ethanol; acetone;

DOI:10.1016/j.biopha.2017.08.105

upstream raw materials:

(2-fluorophenoxy)acetic acid

2-fluoro-4-nitrophenol

ethyl 2-(2-fluoro-4-nitrophenoxy)acetate