2-(2,4,6-Trichlorophenoxy)propionic acid

Base Information

• Chemical Name: 2-(2,4,6-Trichlorophenoxy)propionic acid
• CAS No.: 778-83-6
• Molecular Formula: C9H7Cl3O3
• Molecular Weight: 269.512
• Hs Code.: 2918990090
• European Community (EC) Number: 212-297-6
• NSC Number: 65584
• DSSTox Substance ID: DTXSID901035495
• Nikkaji Number: J193.169E
• Mol file: 778-83-6.mol

Synonyms:2-(2,4,6-Trichlorophenoxy)propionic acid;778-83-6;2-(2,4,6-trichlorophenoxy)propanoic acid;2,4,6-FENOPROP;NSC65584;SCHEMBL7433742;DTXSID901035495;NSC-65584;AKOS000133561;2-(2,4,6-Trichlorphenoxy)-propionsAure

Chemical Property of 2-(2,4,6-Trichlorophenoxy)propionic acid

Chemical Property:

• Vapor Pressure: 2.59E-06mmHg at 25°C
• Boiling Point: 366.1°Cat760mmHg
• Flash Point: 175.2°C
• PSA: 46.53000
• Density: 1.523g/cm³
• LogP: 3.49870
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.946077
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

2-(2,4,6-TRICHLOROPHENOXY)PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl
• Uses: 2-(2,4,6-Trichlorophenoxy)Propionic Acid is a herbicide residue that was analyzed in water sample.

Technology Process of 2-(2,4,6-Trichlorophenoxy)propionic acid

There total 5 articles about 2-(2,4,6-Trichlorophenoxy)propionic 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: 60.0%

2,4,6-trichloro-1-[(3E)-pent-3-en-2-yloxy]benzene → 2-(2,4,6-trichlorophenoxy)propanoic acid (778-83-6)

Guidance literature:

2,4,6-trichloro-1-[(3E)-pent-3-en-2-yloxy]benzene; With oxygen; ozone; acetic acid; In dichloromethane; at 0 ℃;

With selenium(IV) oxide; dihydrogen peroxide; In dichloromethane; at 0 - 20 ℃; for 48h; Reagent/catalyst; Inert atmosphere;

DOI:10.1134/S1070428018090075

Reference yield:

2,4,6-Trichlorophenol (88-06-2,67471-29-8) → 2-(2,4,6-trichlorophenoxy)propanoic acid (778-83-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrabutylammomium bromide; potassium carbonate / acetone / 56 °C

2.1: ozone; acetic acid; oxygen / dichloromethane / 0 °C

2.2: 48 h / 0 - 20 °C / Inert atmosphere

With tetrabutylammomium bromide; oxygen; potassium carbonate; ozone; acetic acid; In dichloromethane; acetone;

DOI:10.1134/S1070428018090075

Reference yield:

sodium 2,4,6-trichlorophenolate (3784-03-0) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → 2-(2,4,6-trichlorophenoxy)propanoic acid (778-83-6)

Guidance literature:

With ethanol; Erhitzen des Reaktionsgemisches mit wss. NaOH;

upstream raw materials:

sodium 2,4,6-trichlorophenolate

Ethyl 2-bromopropionate

(R,S)-2-chloropropionic acid

2,4,6-Trichlorophenol

Downstream raw materials:

L-2-(2,4,6-trichloro-phenoxy)-propionic acid

2-(2,4,6-Trichloro-phenoxy)-propionyl chloride

D-2-(2,4,6-trichloro-phenoxy)-propionic acid

Refernces

• 1、 Khare,Srivastava,Mukharya. "Biological Evaluation of some New Nitrophenoxy/Halophenoxyaeetyl/Propionyl-2-mercaptobenzothiazoles". . p. 627 - 628. Retrieved 2007/10/03.