(2,4-Difluorophenoxy)acetic acid

Base Information

• Chemical Name: (2,4-Difluorophenoxy)acetic acid
• CAS No.: 399-44-0
• Molecular Formula: C8H6 F2 O3
• Molecular Weight: 188.131
• Hs Code.: 2918990090
• European Community (EC) Number: 822-460-9
• NSC Number: 10231
• DSSTox Substance ID: DTXSID20278825
• Wikidata: Q82010983
• Mol file: 399-44-0.mol

Synonyms:(2,4-difluorophenoxy)acetic acid;399-44-0;2-(2,4-difluorophenoxy)acetic acid;MFCD03422203;2,4-difluorophenoxyacetic acid;NSC10231;SCHEMBL2949180;DTXSID20278825;BBL013387;NSC-10231;STK317907;2-(2,4-Difluorophenoxy)-acetic acid;AKOS000103129;AS-61871;CS-0206426;FT-0678474;(2,4-Difluorophenoxy)acetic acid, AldrichCPR;EN300-31697;A873528;J-505474;Z239874904

Chemical Property of (2,4-Difluorophenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 0.000586mmHg at 25°C
• Boiling Point: 298°Cat760mmHg
• Flash Point: 134°C
• PSA: 46.53000
• Density: 1.414g/cm³
• LogP: 1.42820
• Storage Temp.: Refrigerator
• Solubility.: DMSO (slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 188.02850037
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

(2,4-Difluorophenoxy)aceticacid ^*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)OCC(=O)O

Technology Process of (2,4-Difluorophenoxy)acetic acid

There total 6 articles about (2,4-Difluorophenoxy)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: 79.0%

2-(2,4-difluorophenoxy)acetic acid ethyl ester (717-30-6) → 2-(2,4-difluorophenoxy)acetic acid (399-44-0)

Guidance literature:

With sodium hydroxide; In ethanol; Reflux;

DOI:10.1016/j.biopha.2017.08.105

Reference yield:

2,4-difluorophenol (367-27-1) → 2-(2,4-difluorophenoxy)acetic acid (399-44-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethylsulfoxide / 5 h / 70 - 80 °C

2: NaOH / acetone / 2 h / 20 °C

With sodium hydroxide; potassium carbonate; In dimethyl sulfoxide; acetone;

DOI:10.1016/j.jfluchem.2005.11.013

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → 2-(2,4-difluorophenoxy)acetic acid (399-44-0)

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

upstream raw materials:

2,4-difluorophenol

chloroacetic acid

ethyl bromoacetate

2-(2,4-difluorophenoxy)acetic acid ethyl ester

Downstream raw materials:

[(2,4-difluorophenoxyacetyl)(cyano)methylene]triphenylphosphorane

[(2,4-difluorophenoxyacetyl)(ethoxycarbonyl)methylene]triphenylphosphorane

O-methyl [(2-(2,4-difluorophenoxy)acetoxy)(4-methylphenyl)methyl]methylphosphinate

O-methyl [(2-(2,4-difluorophenoxy)acetoxy)(2,4-dichlorophenyl)methyl]methylphosphinate

Refernces

• 1、 Eissa Mohammed, Yasser Hussein,Thirusangu, Prabhu,Zabiulla,Vigneshwaran,B.T, Prabhakar,Khanum, Shaukath Ara. "The anti-invasive role of novel synthesized pyridazine hydrazide appended phenoxy acetic acid against neoplastic development targeting matrix metallo proteases". . p. 375 - 386. Retrieved 2017/09/02.
• 2、 -. "TRICYCLIC PIPERIDINE COMPOUNDS". Page/Page column 128; 142. . Retrieved 2015/06/08.