4-(2-Chloroethoxy)benzoic acid

Base Information

• Chemical Name: 4-(2-Chloroethoxy)benzoic acid
• CAS No.: 65136-51-8
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• DSSTox Substance ID: DTXSID00495932
• Wikidata: Q82344402
• Mol file: 65136-51-8.mol

Synonyms:4-(2-Chloroethoxy)benzoic acid;65136-51-8;SCHEMBL6838614;DTXSID00495932;4-(2-Chloro-ethoxy)benzoic acid;YKBCUDCQUOHPPT-UHFFFAOYSA-N;FT-0732799

Chemical Property of 4-(2-Chloroethoxy)benzoic acid

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OCCCl

Technology Process of 4-(2-Chloroethoxy)benzoic acid

There total 12 articles about 4-(2-Chloroethoxy)benzoic 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: 100.0%

4-(2-Chloroethoxy)benzoic acid methyl ester (38567-00-9) → 4-(2-chloroethoxy)benzoic acid (65136-51-8)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; Solvent;

DOI:10.1080/00397911.2014.943348

Reference yield: 92.0%

4-(2-chloro-ethoxy)-benzoic acid ethyl ester (40992-21-0) → 4-(2-chloroethoxy)benzoic acid (65136-51-8)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 3h; Reflux;

DOI:10.1016/j.ejmech.2019.05.080

Reference yield: 11.0%

1-chloro-2-iodoethane (624-70-4) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-(2-chloroethoxy)benzoic acid (65136-51-8)

Guidance literature:

1-chloro-2-iodoethane; methyl 4-hydroxylbenzoate; With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 12h; Inert atmosphere;

With methanol; sodium hydroxide; In tetrahydrofuran; at 80 ℃; for 4h;

upstream raw materials:

4-(2-chloro-ethoxy)-benzoyl chloride

1-(2-chloroethoxy)-4-(chloromethyl)benzene

methyl 4-hydroxylbenzoate

1-Bromo-2-chloroethane

Downstream raw materials:

4-(2-chloro-ethoxy)-benzoyl chloride

5-((2-(4-(2-(4-hydroxypiperidin-1-yl)ethoxy)benzamide)pyridin-4-yl)oxy)-6-methoxy-N-methyl-1H-indole-1-carboxamide

C₂₅H₂₃ClN₄O₅

[6-Methoxy-2-(4-Methoxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-Piperidinyl)ethoxy]phenyl] Methanone