2-(4-Chlorophenoxy)-2-methylbutanoic acid

Base Information

• Chemical Name: 2-(4-Chlorophenoxy)-2-methylbutanoic acid
• CAS No.: 17413-90-0
• Molecular Formula: C₁₁H₁₃ClO₃
• Molecular Weight: 228.675
• DSSTox Substance ID: DTXSID70874194
• Nikkaji Number: J1.604.911E

Synonyms:17413-90-0;SCHEMBL3500736;DTXSID70874194;2-(P-CLPHENOXY)-2-ET-PROPIONIC AC

Chemical Property of 2-(4-Chlorophenoxy)-2-methylbutanoic acid

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-Chlorophenoxy)-2-methylbutanoic acid

There total 3 articles about 2-(4-Chlorophenoxy)-2-methylbutanoic 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:

4-chloro-phenol (106-48-9,82344-39-6) → 2-(4-chloro-phenoxy)-2-methyl-butyric acid (17413-90-0)

Guidance literature:

With potassium hydroxide; chloroform; butanone;

Reference yield:

chloroform (67-66-3,8013-54-5) + 4-chloro-phenol (106-48-9,82344-39-6) + butanone (78-93-3) → 2-(4-chloro-phenoxy)-2-methyl-butyric acid (17413-90-0)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield:

→ 2-(4-chloro-phenoxy)-2-methyl-butyric acid (17413-90-0)

Guidance literature:

4-Chlorphenol u. 2-Butanon u. Chloroform;

DOI:10.1021/jm00290a020

upstream raw materials:

4-chloro-phenol

chloroform

butanone

Downstream raw materials:

2-(4-Chloro-phenoxy)-2-methyl-butyric acid 3,3,5-trimethyl-cyclohexyl ester

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