2-(2,6-Dichlorophenoxy)propanoic acid

Base Information

• Chemical Name: 2-(2,6-Dichlorophenoxy)propanoic acid
• CAS No.: 25140-90-3
• Molecular Formula: C9H8Cl2O3
• Molecular Weight: 235.067
• Hs Code.: 2918990090
• European Community (EC) Number: 246-650-0
• UNII: WC5DE0C9OD
• DSSTox Substance ID: DTXSID90948003
• Nikkaji Number: J236.064K
• Mol file: 25140-90-3.mol

Synonyms:2-(2,6-dichlorophenoxy)propanoic acid;25140-90-3;2-(2,6-Dichlorophenoxy)propionic acid;2,6-Dichlorprop;WC5DE0C9OD;EINECS 246-650-0;Propanoic acid, 2-(2,6-dichlorophenoxy)-;UNII-WC5DE0C9OD;Oprea1_343783;SCHEMBL9780698;DTXSID90948003;2-(2,6-Dichlorophenoxy)propanoato;AMY15040;BCP31605;LOFEXIDINE METABOLITE (LDPA);FD7350;MFCD03944281;STK435949;2-(2,6-dichlorophenoxy)propanoicacid;AKOS000131156;AKOS022148662;2,6-Dichlorophenoxy-alpha-propionic acid;BS-22130;CS-0213297;FT-0666634;Propanoic acid, 2-(2,6-dichlorophenoxy)- [;Toluene, a-bromo-3,5-dimethoxy- (7CI,8CI);2,6-DICHLOROPHENOXY-.ALPHA.-PROPIONIC ACID

Chemical Property of 2-(2,6-Dichlorophenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 2.3E-05mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 345.7 °C at 760 mmHg
• Flash Point: 162.9 °C
• PSA: 46.53000
• Density: 1.421g/cm³
• LogP: 2.84530
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.9850495
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2,6-Dichlorophenoxy)propionicAcid ^*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=CC=C1Cl)Cl
• Uses: A di-substituted analog of 2-phenoxypropionic acid with inhibitory activity on tillering in rice. It is a degradation product of phenoxy acid herbicides found in groundwater.

Technology Process of 2-(2,6-Dichlorophenoxy)propanoic acid

There total 3 articles about 2-(2,6-Dichlorophenoxy)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:

(±)ethyl 2-(2,6-dichlorophenoxy)propionate (344559-34-8,86981-78-4) → (RS)-2-(2,6-dichlorophenoxy)propionic acid (25140-90-3)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm400241j

Reference yield:

Ethyl 2-bromopropionate (535-11-5,41978-69-2) → (RS)-2-(2,6-dichlorophenoxy)propionic acid (25140-90-3)

Guidance literature:

With ethanol; anschliessend Erwaermen mit wss. Natronlauge;

Reference yield:

2,6-Dichlorophenol (87-65-0) → (RS)-2-(2,6-dichlorophenoxy)propionic acid (25140-90-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 20 °C / Inert atmosphere

2: water; sodium hydroxide / tetrahydrofuran / 3 h / 80 °C / Inert atmosphere

With water; potassium carbonate; sodium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jm400241j

upstream raw materials:

Ethyl 2-bromopropionate

2,6-Dichlorophenol

(±)ethyl 2-(2,6-dichlorophenoxy)propionate

Downstream raw materials:

di(1-naphthyl)methyl (S)-2-(2,6-dichlorophenoxy)propanoate

(R)-2-(2,6-dichlorophenoxy)propanoic acid

(S)-2-(2,6-dichlorophenoxy)propanoic acid

2-(2,6-dichlorophenoxy)-N-(2-(pyridine-4-yl)benzo[d]oxazol-5-yl)propanamide

Refernces