4-[(4-Chlorobenzyl)oxy]benzoic acid

Base Information

• Chemical Name: 4-[(4-Chlorobenzyl)oxy]benzoic acid
• CAS No.: 62290-40-8
• Molecular Formula: C14H11ClO3
• Molecular Weight: 262.693
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60359400
• Wikidata: Q82140598
• Mol file: 62290-40-8.mol

Synonyms:4-[(4-chlorobenzyl)oxy]benzoic acid;62290-40-8;4-[(4-chlorophenyl)methoxy]benzoic Acid;4-((4-Chlorobenzyl)oxy)benzoic acid;Benzoic acid, 4-[(4-chlorophenyl)methoxy]-;SCHEMBL1369316;DTXSID60359400;WRELJNMKLNHYCU-UHFFFAOYSA-N;4-(4-chlorobenzyloxy)benzoic acid;4-((4-Chlorobenzyl)oxy)benzoicacid;BBL015293;MFCD04521327;STK501651;4-(4-chloro benzyloxy) benzoic acid;AKOS000291561;VS-04886;CS-0157539;D82186;4-[(4-Chlorobenzyl)oxy]benzoic acid, AldrichCPR

Chemical Property of 4-[(4-Chlorobenzyl)oxy]benzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 3.61720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.0396719
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

4-[(4-Chlorobenzyl)oxy]benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC2=CC=C(C=C2)C(=O)O)Cl

Technology Process of 4-[(4-Chlorobenzyl)oxy]benzoic acid

There total 7 articles about 4-[(4-Chlorobenzyl)oxy]benzoic 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: 97.0%

4-chlorobenzyl bromide (622-95-7) + 4-hydroxy-benzoic acid (99-96-7) → 4-((4-chlorobenzyl)oxy)benzoic acid (62290-40-8)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 8h; Reflux;

Reference yield:

methyl 4-((4-chlorobenzyl)oxy)benzoate (62290-46-4) → 4-((4-chlorobenzyl)oxy)benzoic acid (62290-40-8)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; methanol; for 24h; Reflux;

DOI:10.1016/j.ejmech.2021.113580

Reference yield:

ethyl acetate-water + 1-Chloro-4-(chloromethyl)benzene (104-83-6) + 4-hydroxy-benzoic acid (99-96-7) → 4-((4-chlorobenzyl)oxy)benzoic acid (62290-40-8)

Guidance literature:

With sodium hydroxide; potassium carbonate; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

1-Chloro-4-(chloromethyl)benzene

4-hydroxy-benzoic acid

4-chlorobenzyl bromide

methyl 4-hydroxylbenzoate

Refernces

• 1、 Bai, Renren,Gu, Jinping,Guo, Jianan,Jiang, Xiaoying,Xie, Yuanyuan,Zhang, Changjun,Zhou, Tao. "Discovery of benzamide-hydroxypyridinone hybrids as potent multi-targeting agents for the treatment of Alzheimer's disease". . p. 2045 - 2054. Retrieved 2021/10/08.
• 2、 -. "Formamide pyridone iron chelating agent derivative with potential multi-target anti-AD activity as well as preparation method and application thereof". Paragraph 0176-0177; 0180. . Retrieved 2020/12/10.