4-Butoxyphenyl 4-hydroxybenzoate

Base Information

• Chemical Name: 4-Butoxyphenyl 4-hydroxybenzoate
• CAS No.: 70568-44-4
• Molecular Formula: C17H18O4
• Molecular Weight: 286.328
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID20543106
• Nikkaji Number: J1.566.652H
• Wikidata: Q72513973
• Mol file: 70568-44-4.mol

Synonyms:4-Butoxyphenyl 4-hydroxybenzoate;70568-44-4;(4-butoxyphenyl) 4-hydroxybenzoate;4-Butoxyphenyl4-hydroxybenzoate;SCHEMBL8211241;DTXSID20543106;4-Hydroxy-benzoic acid 4-butoxy-phenyl ester

Chemical Property of 4-Butoxyphenyl 4-hydroxybenzoate

Chemical Property:

• PSA: 55.76000
• Density: 1.169
• LogP: 3.79030
• Storage Temp.: 2-8°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 286.12050905
• Heavy Atom Count: 21
• Complexity: 302

Purity/Quality:

97% ^*data from raw suppliers

4-Butoxyphenyl4-hydroxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)O

Technology Process of 4-Butoxyphenyl 4-hydroxybenzoate

There total 5 articles about 4-Butoxyphenyl 4-hydroxybenzoate 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: 92.0%

4-butoxyphenyl 4-(benzyloxy)benzoate (148731-13-9) → 4-n-butyloxyphenyl 4'-hydroxybenzoate (70568-44-4)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; at 20 ℃;

DOI:10.1039/c3nj01414b

Reference yield:

p-(benzyloxy)benzoic acid (1486-51-7) → 4-n-butyloxyphenyl 4'-hydroxybenzoate (70568-44-4)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / DMF / CH₂Cl₂ / 1.5 h / Heating

2: NEt₃, 4-pyrrolidinopyridine / CH₂Cl₂ / 3 h / Heating

3: H₂ / 10percent Pd-C / CH₂Cl₂; tetrahydrofuran / 3375.3 Torr

With thionyl chloride; hydrogen; 4-pyrrolidin-1-ylpyridine; triethylamine; palladium on activated charcoal; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;

DOI:10.1002/hlca.19930760210

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-n-butyloxyphenyl 4'-hydroxybenzoate (70568-44-4)

Guidance literature:

Multi-step reaction with 5 steps

1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 90 °C

2: potassium hydroxide; water / ethanol / 1 h / Reflux

3: thionyl chloride / 1 h / Reflux

4: triethylamine / butanone / 3 h / 0 - 20 °C

5: hydrogen; palladium on activated charcoal / tetrahydrofuran / 20 °C

With thionyl chloride; palladium on activated charcoal; water; hydrogen; potassium carbonate; triethylamine; potassium hydroxide; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; butanone;

DOI:10.1039/c3nj01414b

upstream raw materials:

4-butoxyphenyl 4-(benzyloxy)benzoate

n-butyl 4-chlorophenyl ether

p-(benzyloxy)benzoic acid

methyl 4-hydroxylbenzoate