Ethyl 2-(3-chlorophenoxy)acetate

Base Information

• Chemical Name: Ethyl 2-(3-chlorophenoxy)acetate
• CAS No.: 52094-98-1
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.649
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70352765
• Nikkaji Number: J31.558C
• Wikidata: Q82130092
• Mol file: 52094-98-1.mol

Synonyms:ethyl 2-(3-chlorophenoxy)acetate;52094-98-1;ETHYL (3-CHLOROPHENOXY)ACETATE;Ethyl2-(3-chlorophenoxy)acetate;ethyl 3-chlorophenoxyacetate;Ethyl(3-chlorophenoxy)acetate;Ethyl (3-chlorophenoxv)acetate;SCHEMBL6463823;DTXSID70352765;HBPWQKZOBIRMFA-UHFFFAOYSA-N;HMS1602K03;CCA09498;MFCD05744791;STL415023;AKOS002238846;AB22457;ETHYL 3-CHLOROPHENYLOXY ACETATE;(3-Chlorophenoxy)acetic acid ethyl ester;AC-29277;BS-28581;(3-CHLOROPHENOXY)ACETICACIDETHYLESTER;CS-0211200;EN300-232587;A871071

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

Chemical Property:

• PSA: 35.53000
• LogP: 2.28190
• Storage Temp.: Room temperature.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl2-(3-chlorophenoxy)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC(=CC=C1)Cl

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

There total 5 articles about Ethyl 2-(3-chlorophenoxy)acetate 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: 99.0%

3-monochlorophenol (108-43-0) + ethyl bromoacetate (105-36-2) → ethyl (3-chlorophenoxy)acetate (52094-98-1)

Guidance literature:

With potassium carbonate; In acetone; for 4h; Reflux;

DOI:10.1002/chir.22457

Reference yield: 92.5%

→ ethyl (3-chlorophenoxy)acetate (52094-98-1)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Reflux;

Reference yield: 79.0%

3-monochlorophenol (108-43-0) + chloroacetic acid ethyl ester (105-39-5) → ethyl (3-chlorophenoxy)acetate (52094-98-1)

Guidance literature:

With potassium carbonate; In acetone; for 8h; Reflux;

DOI:10.1016/j.bmc.2010.11.034

upstream raw materials:

3-chlorophenoxyacetic acid

3-monochlorophenol

ethyl bromoacetate

chloroacetic acid ethyl ester

Downstream raw materials:

3-chlorophenoxyacetic acid hydrazide

2-{[(3-chlorophenyl)oxy]acetyl}hydrazinecarbothioamide

C₁₃H₁₀ClN₃O₂S

3-chlorophenoxyacetic acid

Refernces

• 1、 Ali, Wesam,Wi?cek, Ma?gorzata,?a?ewska, Dorota,Kurczab, Rafa?,Jastrz?bska-Wi?sek, Magdalena,Sata?a, Grzegorz,Kucwaj-Brysz, Katarzyna,Lubelska, Annamaria,G?uch-Lutwin, Monika,Mordyl, Barbara,Siwek, Agata,Nasim, Muhammad Jawad,Partyka, Anna,Sudo?, Sylwia,Latacz, Gniewomir,Weso?owska, Anna,Kie?-Kononowicz, Katarzyna,Handzlik, Jadwiga. "Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HT6". supporting information. p. 740 - 751. Retrieved 2019/06/24.
• 2、 Wang, Yanyan,Lu, Xiumian,Shi, Jun,Xu, Jiahong,Wang, Fenghua,Yang, Xiao,Yu, Gang,Liu, Zhiqian,Li, Chuanhui,Dai, Ali,Zhao, Yonghui,Wu, Jian. "Synthesis and larvicidal activity of 1,3,4-oxadiazole derivatives containing a 3-chloropyridin-2-yl-1H-pyrazole scaffold". . p. 611 - 623. Retrieved 2018/01/17.