Ethyl 2-(3-chlorophenoxy)propanoate

Base Information

• Chemical Name: Ethyl 2-(3-chlorophenoxy)propanoate
• CAS No.: 52095-00-8
• Molecular Formula: C₁₁H₁₃ClO₃
• Molecular Weight: 228.675
• DSSTox Substance ID: DTXSID701293085
• Mol file: 52095-00-8.mol

Synonyms:ethyl 2-(3-chlorophenoxy)propanoate;52095-00-8;DTXSID701293085;AKOS005453428

Chemical Property of Ethyl 2-(3-chlorophenoxy)propanoate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(C)OC1=CC(=CC=C1)Cl

Technology Process of Ethyl 2-(3-chlorophenoxy)propanoate

There total 2 articles about Ethyl 2-(3-chlorophenoxy)propanoate 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:

m-chlorophenol, potassium salt (2362-28-9) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → 2-(3-Chloro-phenoxy)-propionic acid ethyl ester (52095-00-8)

Guidance literature:

Reference yield:

3-monochlorophenol (108-43-0) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → 2-(3-Chloro-phenoxy)-propionic acid ethyl ester (52095-00-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/jm400241j

Reference yield: 95.0%

2-(3-Chloro-phenoxy)-propionic acid ethyl ester (52095-00-8) → 2-(3-chlorophenoxy)propionic acid (101-10-0)

Guidance literature:

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

DOI:10.1021/jm400241j

upstream raw materials:

m-chlorophenol, potassium salt

Ethyl 2-bromopropionate

3-monochlorophenol

Downstream raw materials:

2-(3-chlorophenoxy)propionic acid

2-(3-chlorophenoxy)-N-(2-(pyridine-4-yl)benzo[d]oxazol-5-yl)propanamide

2-(3-Chloro-phenoxy)-propionic acid hydrazide

Refernces

• 1、 Azzolina,Collina,Ghislandi. "Optical resolution of aryloxypropionic acids and their esters by HPLC on cellulose tris-3,5-dimethyl-triphenylcarbamate derivative". . p. 1401 - 1416. Retrieved 2007/10/02.