4-[(4-Chlorophenyl)methyl]phenol

Base Information

• Chemical Name: 4-[(4-Chlorophenyl)methyl]phenol
• CAS No.: 52890-73-0
• Molecular Formula: C13H11ClO
• Molecular Weight: 218.683
• DSSTox Substance ID: DTXSID50519511
• Nikkaji Number: J2.317.026D
• Wikidata: Q82382749
• Mol file: 52890-73-0.mol

Synonyms:4-(4-chlorobenzyl)phenol;52890-73-0;4-[(4-Chlorophenyl)methyl]phenol;4-(4-chlorobenzyl)-phenol;4-(4'-chlorobenzyl)-phenol;4-(4-chloro-benzyl)-phenol;SCHEMBL2289447;DTXSID50519511;CSELFPNBUAQDMK-UHFFFAOYSA-N

Chemical Property of 4-[(4-Chlorophenyl)methyl]phenol

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.0498427
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)O

Technology Process of 4-[(4-Chlorophenyl)methyl]phenol

There total 16 articles about 4-[(4-Chlorophenyl)methyl]phenol 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: 95.0%

2,6-di-tert-butyl-4-(4-chlorobenzyl)phenol → 4-(4-chloro-benzyl)-phenol (52890-73-0)

Guidance literature:

With aluminum (III) chloride; In benzene; at 27 - 30 ℃; for 3h;

DOI:10.1039/c7ob02007d

Reference yield: 85.0%

4-(2-(4-chlorophenyl)-1,3-dithian-2-yl)phenol → 4-(4-chloro-benzyl)-phenol (52890-73-0)

Guidance literature:

4-(2-(4-chlorophenyl)-1,3-dithian-2-yl)phenol; With chloro-trimethyl-silane; sodium iodide; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

With water; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201800437

Reference yield: 83.0%

4-(2-(4-chlorophenyl)-1,3-dithiolan-2-yl)phenol → 4-(4-chloro-benzyl)-phenol (52890-73-0)

Guidance literature:

4-(2-(4-chlorophenyl)-1,3-dithiolan-2-yl)phenol; With chloro-trimethyl-silane; sodium iodide; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

With water; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201800437

upstream raw materials:

4-chloro-4'-hydroxybenzophenone

1-Chloro-4-(chloromethyl)benzene

phenol

aluminium trichloride

Downstream raw materials:

5-(4-chloro-benzyl)-2-hydroxy-benzaldehyde

Ethyl 2-methyl-2-[p-(p'-chlorobenzyl)phenoxy]hexanoate

[4-(4-Chloro-benzyl)-phenoxy]-acetic acid 3-{2-[4-(4-chloro-benzyl)-phenoxy]-acetoxy}-propyl ester

2-[4-(4-Chloro-benzyl)-phenoxy]-butyric acid ethyl ester

Refernces

• 1、 Zhao, Guangkuan,Yuan, Ling-Zhi,Alami, Mouad,Provot, Olivier. "Chlorotrimethylsilane and Sodium Iodide: A Remarkable Metal-Free Association for the Desulfurization of Benzylic Dithioketals under Mild Conditions". . p. 2522 - 2536. Retrieved 2018/05/14.
• 2、 Huang, Ruofeng,Zhang, Xiaohui,Pan, Jing,Li, Jiaqiang,Shen, Hang,Ling, Xuege,Xiong, Yan. "Benzylation of arenes with benzyl halides synergistically promoted by in situ generated superacid boron trifluoride monohydrate and tetrahaloboric acid". supporting information. p. 1540 - 1546. Retrieved 2015/03/04.