3-(2,4-Difluorophenoxy)propanoic acid

Base Information

• Chemical Name: 3-(2,4-Difluorophenoxy)propanoic acid
• CAS No.: 777-28-6
• Molecular Formula: C9H8 F2 O3
• Molecular Weight: 202.158
• Hs Code.: 2918990090
• European Community (EC) Number: 819-447-5
• NSC Number: 190627
• DSSTox Substance ID: DTXSID10307279
• Wikidata: Q82054651
• Mol file: 777-28-6.mol

Synonyms:3-(2,4-difluorophenoxy)propanoic acid;777-28-6;Propanoic acid,3-(2,4-difluorophenoxy)-;NSC190627;Maybridge3_006594;Oprea1_552623;SCHEMBL1520326;DTXSID10307279;HMS1449L16;CCG-42991;MFCD01764783;3-(2,4-difluorophenoxy)propanoicacid;AKOS000150055;NSC-190627;PS-6709;IDI1_017981;CS-0188435;EN300-51375;D83307;SR-01000632945-1;Z240085248

Chemical Property of 3-(2,4-Difluorophenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000941mmHg at 25°C
• Boiling Point: 290.6°C at 760 mmHg
• Flash Point: 129.6°C
• PSA: 46.53000
• Density: 1.352g/cm³
• LogP: 1.81830
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 202.04415044
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

3-(2,4-Difluorophenoxy)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)OCCC(=O)O

Technology Process of 3-(2,4-Difluorophenoxy)propanoic acid

There total 3 articles about 3-(2,4-Difluorophenoxy)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:

β-Propiolactone (57-57-8) + 2,4-difluorophenol (367-27-1) → 2-carboxyethyl acrylate (24615-84-7) + 3-(2,4-difluoro-phenoxy)-propionic acid (777-28-6)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 - 50 ℃;

DOI:10.1016/j.tetlet.2010.09.066

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → 3-(2,4-difluoro-phenoxy)-propionic acid (777-28-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sulfuric acid; sodium nitrite / Erhitzen des Reaktionsgemisches mit Kupfer(II)-sulfat auf 180grad

2: aq. NaOH solution

With sodium hydroxide; sulfuric acid; sodium nitrite;

DOI:10.1021/ja01510a021

Reference yield:

chloropropionic acid (107-94-8) + 2,4-difluorophenol (367-27-1) → 3-(2,4-difluoro-phenoxy)-propionic acid (777-28-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01510a021

upstream raw materials:

chloropropionic acid

2,4-difluorophenol

2,4-difluorophenylamine

β-Propiolactone

Downstream raw materials:

6,8-difluorochroman-4-one

Refernces