5-Methoxy-2-phenoxybenzoic acid

Base Information

• Chemical Name: 5-Methoxy-2-phenoxybenzoic acid
• CAS No.: 577973-42-3
• Molecular Formula: C14H12O4
• Molecular Weight: 244.247
• DSSTox Substance ID: DTXSID40476023
• Wikidata: Q82306928
• Mol file: 577973-42-3.mol

Synonyms:5-Methoxy-2-phenoxybenzoic acid;577973-42-3;Benzoic acid, 5-methoxy-2-phenoxy-;5-Methoxy-2-phenoxybenzoicacid;DTXSID40476023

Chemical Property of 5-Methoxy-2-phenoxybenzoic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC2=CC=CC=C2)C(=O)O

Technology Process of 5-Methoxy-2-phenoxybenzoic acid

There total 3 articles about 5-Methoxy-2-phenoxybenzoic 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: 85.0%

2-chloro-5-methoxybenzoic acid (6280-89-3) + phenol (108-95-2,27073-41-2) → 5-methoxy-2-phenoxybenzoic acid (577973-42-3)

Guidance literature:

With copper(l) iodide; copper; potassium carbonate; pyridine; In water; for 0.333333h; ultrasound irradiation;

DOI:10.1081/SCC-120016350

Reference yield: 50.0%

2-bromo-5-methoxy-benzoic acid (22921-68-2) + phenol (108-95-2,27073-41-2) → 5-methoxy-2-phenoxybenzoic acid (577973-42-3)

Guidance literature:

With pyridine; copper(l) iodide; copper; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 160 ℃; Inert atmosphere;

DOI:10.1039/c6ob01758d

Reference yield:

2-chloro-5-methoxybenzoic acid (6280-89-3) + sodium phenoxide (139-02-6) → 5-methoxy-2-phenoxybenzoic acid (577973-42-3)

Guidance literature:

With copper; at 170 - 190 ℃;

upstream raw materials:

2-chloro-5-methoxybenzoic acid

sodium phenoxide

phenol

2-bromo-5-methoxy-benzoic acid