2-(4-Chloro-2-methoxyphenoxy)acetic acid

Base Information

• Chemical Name: 2-(4-Chloro-2-methoxyphenoxy)acetic acid
• CAS No.: 56913-08-7
• Molecular Formula: C9H9ClO4
• Molecular Weight: 216.621
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20470160
• Wikidata: Q82298152
• Mol file: 56913-08-7.mol

Synonyms:2-(4-CHLORO-2-METHOXYPHENOXY)ACETIC ACID;56913-08-7;2-(4-chloro-2-methoxyphenoxy)aceticacid;SCHEMBL1332214;DTXSID20470160;PVUWZUAZEYECBS-UHFFFAOYSA-N;AKOS015850081;(4-Chloro-2-methoxy-phenoxy)-acetic Acid;A8129;FT-0682430;EN300-1628190;A1-16378

Chemical Property of 2-(4-Chloro-2-methoxyphenoxy)acetic acid

Chemical Property:

• PSA: 55.76000
• LogP: 1.81200
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.0189365
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

[4-(Benzyloxy)-2-methylphenyl]acetic acid AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-Chloro-2-methoxyphenoxy)acetic acid

There total 4 articles about 2-(4-Chloro-2-methoxyphenoxy)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: 99.0%

(4-chloro-2-methoxyphenoxy)acetic acid tert-butyl ester (937817-42-0) → 2-(4-chloro-2-methoxyphenoxy) acetic acid (56913-08-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

Reference yield: 90.0%

4-Chloroguaiacol (16766-30-6) + chloroacetic acid (79-11-8) → 2-(4-chloro-2-methoxyphenoxy) acetic acid (56913-08-7)

Guidance literature:

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

DOI:10.1021/jm400637m

Reference yield:

4-Chloroguaiacol (16766-30-6) → 2-(4-chloro-2-methoxyphenoxy) acetic acid (56913-08-7)

Guidance literature:

With sodium hydroxide; chloroacetic acid;

DOI:10.1039/jr9550003681

upstream raw materials:

4-Chloroguaiacol

chloroacetic acid

(4-chloro-2-methoxyphenoxy)acetic acid tert-butyl ester

2-methoxy-4-nitrophenol

Downstream raw materials:

4-chloro-2-hydroxy phenoxyacetic acid

(4-Chloro-2-methoxy-phenoxy)-acetyl chloride