Benzoic acid, 4-hydroxy-, (4-methoxyphenyl)methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-hydroxy-, (4-methoxyphenyl)methyl ester
• CAS No.: 110929-34-5
• Molecular Formula: C15H14O4
• Molecular Weight: 258.274
• DSSTox Substance ID: DTXSID50477905
• Nikkaji Number: J2.026.992H
• Wikidata: Q82310953
• Mol file: 110929-34-5.mol

Synonyms:Benzoic acid, 4-hydroxy-, (4-methoxyphenyl)methyl ester;110929-34-5;SCHEMBL1129093;4-Methoxybenzyl 4hydroxybenzoate;4methoxybenzyl 4-hydroxybenzoate;DTXSID50477905;4-Methoxybenzyl 4-hydroxybenzoate;RELJKYBOPGHDNL-UHFFFAOYSA-N;AKOS002550706

Chemical Property of Benzoic acid, 4-hydroxy-, (4-methoxyphenyl)methyl ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O

Technology Process of Benzoic acid, 4-hydroxy-, (4-methoxyphenyl)methyl ester

There total 2 articles about Benzoic acid, 4-hydroxy-, (4-methoxyphenyl)methyl ester 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: 71.0%

4-Methoxybenzyl alcohol (105-13-5) + 4-hydroxy-benzoic acid (99-96-7) → 4-hydroxy-4'-methoxybenzyl benzoate (110929-34-5)

Guidance literature:

With aluminium trichloride; sodium iodide; In acetonitrile; for 1.5h; Heating;

DOI:10.1081/SCC-120027277

Reference yield:

→ 4-hydroxy-4'-methoxybenzyl benzoate (110929-34-5)

Guidance literature:

Reference yield:

2-bromoethanol (540-51-2) + 4-hydroxy-4'-methoxybenzyl benzoate (110929-34-5) → 4-methoxybenzyl 4-(2-hydroxyethoxy)benzoate

Guidance literature:

With potassium carbonate; In water; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

4-Methoxybenzyl alcohol

4-hydroxy-benzoic acid