2-(4-Tert-butylphenoxy)butanoic acid

Base Information

• Chemical Name: 2-(4-Tert-butylphenoxy)butanoic acid
• CAS No.: 113104-28-2
• Molecular Formula: C₁₄H₂₀O₃
• Molecular Weight: 236.311
• DSSTox Substance ID: DTXSID901254847
• Mol file: 113104-28-2.mol

Synonyms:2-(4-tert-butylphenoxy)butanoic acid;113104-28-2;2-(4-(tert-Butyl)phenoxy)butanoic acid;SCHEMBL8935640;WUEFGQXWIWCINJ-UHFFFAOYSA-N;DTXSID901254847;BBL037523;MFCD03422250;STK502374;AKOS000308705;2-(4-(tert-Butyl)phenoxy)butanoicacid;VS-14233;(2RS)-2-(4-t-butylphenoxy)butyric acid;CS-0325225;2-[4-(1,1-Dimethylethyl)phenoxy]butanoic acid

Chemical Property of 2-(4-Tert-butylphenoxy)butanoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 3.22610
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

2-(4-tert-Butylphenoxy)butanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-Tert-butylphenoxy)butanoic acid

There total 2 articles about 2-(4-Tert-butylphenoxy)butanoic 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:

2-bromobutyric acid ethyl ester (533-68-6) → 2-(4-tert-butyl-phenoxy)-butyric acid (113104-28-2)

Guidance literature:

With methanol; anschliessende Hydrolyse;

DOI:10.1021/ja01101a022

Reference yield:

2-Bromobutyric acid (80-58-0) + para-tert-butylphenol (98-54-4) → 2-(4-tert-butyl-phenoxy)-butyric acid (113104-28-2)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2-Bromobutyric acid

para-tert-butylphenol

2-bromobutyric acid ethyl ester