Ethyl 4-(4-hydroxyphenyl)butanoate

Base Information

• Chemical Name: Ethyl 4-(4-hydroxyphenyl)butanoate
• CAS No.: 62889-58-1
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID80462642
• Nikkaji Number: J3.084.370C
• Wikidata: Q82287204
• Mol file: 62889-58-1.mol

Synonyms:Ethyl 4-(4-hydroxyphenyl)butanoate;62889-58-1;Benzenebutanoic acid, 4-hydroxy-, ethyl ester;SCHEMBL5050631;DTXSID80462642;URBBRTFGJCAELL-UHFFFAOYSA-N;Ethyl4-(4-hydroxyphenyl)butanoate;AKOS015890877;WS-02259;4-(4-hydroxy-phenyl)-butyric acid ethyl ester;D85932

Chemical Property of Ethyl 4-(4-hydroxyphenyl)butanoate

Chemical Property:

• PSA: 46.53000
• LogP: 2.27800
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCC1=CC=C(C=C1)O

Technology Process of Ethyl 4-(4-hydroxyphenyl)butanoate

There total 8 articles about Ethyl 4-(4-hydroxyphenyl)butanoate 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: 96.0%

→ 4-(4-hydroxyphenyl)butyric acid ethyl ester (62889-58-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 12h;

Reference yield: 94.0%

(E)-4-(4-benzyloxyphenyl)-2-butenoic acid ethyl ester (205587-50-4) → 4-(4-hydroxyphenyl)butyric acid ethyl ester (62889-58-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.3987/com-97-s55

Reference yield: 78.0%

ethanol (64-17-5) + 4-(4-hydroxyphenyl)butanoic acid (7021-11-6) → 4-(4-hydroxyphenyl)butyric acid ethyl ester (62889-58-1)

Guidance literature:

With sulfuric acid; at 90 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00618

upstream raw materials:

(E)-4-(4-benzyloxyphenyl)-2-butenoic acid ethyl ester

p-hydroxyphenethyl alcohol

2-[4-(benzyloxy)phenyl]acetaldehyde

2-(4-benzyloxyphenyl)ethanol

Downstream raw materials:

3-[4-(3-Ethoxycarbonyl-propyl)-phenoxymethyl]-thiophene-2-carboxylic acid methyl ester

4-(4-Hydroxycyclohexyl)butyric acid ethyl ester

4-(4-Benzyloxyphenyl)-buttersaeureaethylester

4-(4-Methoxymethoxy-phenyl)-butyric acid ethyl ester

Refernces

• 1、 Schierle, Simone,Neumann, Sebastian,Heitel, Pascal,Willems, Sabine,Kaiser, Astrid,Pollinger, Julius,Merk, Daniel. "Design and Structural Optimization of Dual FXR/PPARδActivators". supporting information. p. 8369 - 8379. Retrieved 2020/08/12.
• 2、 Everson, Daniel A.,Jones, Brittany A.,Weix, Daniel J.. "Replacing conventional carbon nucleophiles with electrophiles: Nickel-catalyzed reductive alkylation of aryl bromides and chlorides". supporting information; experimental part. p. 6146 - 6159. Retrieved 2012/05/07.