2-(4-Nitrophenoxy)propanoic acid

Base Information

• Chemical Name: 2-(4-Nitrophenoxy)propanoic acid
• CAS No.: 13794-10-0
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30396680
• Nikkaji Number: J632.859H
• Mol file: 13794-10-0.mol

Synonyms:2-(4-nitrophenoxy)propanoic acid;13794-10-0;2-(4-Nitrophenoxy)propionic acid;MFCD03422224;SCHEMBL829966;(p-Nitro-phenoxy)-propionsaure;2-(4-Nitrophenoxy)propanoicacid;DTXSID30396680;OYYFEDUOOFSUGM-UHFFFAOYSA-N;2-(4-Nitrophenoxy)-propionic acid;2-(4-Nitro-phenoxy)-propionic acid;BBL014324;STK347608;AKOS000146729;AKOS015922420;AKOS016345010;VS-04272;CS-0206440;A50594;EN300-228625;J-007077

Chemical Property of 2-(4-Nitrophenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 5.98E-07mmHg at 25°C
• Melting Point: 130-140 °C
• Refractive Index: 1.569
• Boiling Point: 395.1°C at 760 mmHg
• PKA: 2.97±0.10(Predicted)
• Flash Point: 192.7°C
• PSA: 92.35000
• Density: 1.377g/cm³
• LogP: 1.96990
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Nitrophenoxy)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 2-(4-Nitrophenoxy)propanoic acid

There total 11 articles about 2-(4-Nitrophenoxy)propanoic 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: 85.3%

2-(4-nitrophenoxy)-propionic acid methyl ester (79005-47-3) → (RS)-2-(4-nitrophenoxy)propionic acid (13794-10-0)

Guidance literature:

With hydrogenchloride; In water; for 8h; Heating / reflux;

Reference yield:

2-(4-nitro-phenoxy)-propionic acid ethyl ester (28059-69-0) → (RS)-2-(4-nitrophenoxy)propionic acid (13794-10-0)

Guidance literature:

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → (RS)-2-(4-nitrophenoxy)propionic acid (13794-10-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 10 h / Heating

2: 10 percent sodium hydroxide / H₂O / Heating

With sodium hydroxide; potassium carbonate; In water; acetone; 1: Substitution / 2: Hydrolysis;

DOI:10.1002/1099-1395(200009)13:9<499::AID-POC269>3.0.CO;2-0

upstream raw materials:

2-(4-nitro-phenoxy)-propionic acid ethyl ester

2-phenoxypropionic acid

2-(4-nitrophenoxy)-propionic acid methyl ester

4-nitro-phenol

Downstream raw materials:

2-(4-nitrophenoxy)-propionyl chloride

6β-[(Ξ)-2-(4-nitro-phenoxy)-propionylamino]-penicillanic acid

N-Hydroxy-N-methyl-2-(4-nitro-phenoxy)-propionamide

2-(4-nitrophenoxy)propanol