31480-68-9

Basic information

• Product Name: Phenol, 2-[(4-chlorophenyl)methyl]-
• Synonyms: 2-Hydroxy-1-(4-chlor-benzyl)-benzol;2-(4-chlorobenzyl)phenol;4'-chloro-2-hydroxy-diphenyl-methane;2-(4-Chloro-benzyl)-phenol;2-(4-Chlor-benzyl)-phenol;2-(4-chlorobenzyl)-phenol
• CAS NO: 31480-68-9
• Molecular Formula: C13H11ClO
• Molecular Weight: 218.683
• Mol File: 31480-68-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 56 - 60 °C
• CAS DataBase Reference: Phenol, 2-[(4-chlorophenyl)methyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 2-[(4-chlorophenyl)methyl]-(31480-68-9)
• EPA Substance Registry System: Phenol, 2-[(4-chlorophenyl)methyl]-(31480-68-9)

Safety Data

• Hazardous Substances Data: 31480-68-9(Hazardous Substances Data)

Upstream product

• 104-83-6 1-Chloro-4-(chloromethyl)benzene 
• 108-95-2 phenol 
• 95-56-7 2-hydroxybromobenzene 
• 104-88-1 4-chlorobenzaldehyde 
• 31575-75-4 2-bromophenyl benzyl ether 
• 875109-22-1 (2-(benzyloxy)phenyl)(4-chlorophenyl)methanol 
• 848573-53-5 α'-(4-chlorobenzylidene)-2-cyclohexenone 
• 875109-24-3 1-(benzyloxy)-2-(4-chlorobenzyl)benzene 
• 31020-78-7 2-(4-chlorobenzylidene)cyclohexan-1-one 
• 108-90-7 chlorobenzene 
• 6311-23-5 2-(toluene-4-sulfonylamino)-benzoic acid 
• 2894-51-1 2-amino-4'-chlorobenzophenone 
• 108-88-3 toluene 
• 98018-68-9 2-(4-chlorobenzyl)phenylamine 

Downstream Products

• 28994-41-4 o-Benzylphenol 
• 85838-94-4 N-Boc-1,2,3,6-tetrahydropyridine 
• 1026979-44-1 2-[2-(4-Chloro-benzyl)-phenoxy]-3-(4-chloro-phenyl)-2-methyl-propionic acid ethyl ester 
• 57081-51-3 2-[2-(4-Chloro-benzyl)-phenoxy]-propionic acid ethyl ester 
• 71549-05-8 [2-(4-chloro-benzyl)-phenoxy]-acetic acid ethyl ester 
• 343229-48-1 C₁₇H₁₈BrClO 

Relevant articles and documents

Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization

Developments in G protein-coupled receptor (GPCR) structural biology provide insights into GPCR-ligand binding. Compound 1 (4-(2-benzylphenoxy)piperidine) with high ligand efficiency for the histamine H1 receptor (H1R) was used to design derivatives to investigate the roles of (i) the amine-binding region, (ii) the upper and lower aromatic region, and (iii) binding site solvation. SAR analysis showed that the amine-binding region serves as the primary binding hot spot, preferably binding small tertiary amines. In silico prediction of water network energetics and mutagenesis studies indicated that the displacement of a water molecule from the amine-binding region is most likely responsible for the increased affinity of the N-methylated analog of 1. Deconstruction of 1 showed that the lower aromatic region serves as a secondary binding hot spot. This study demonstrates that an X-ray structure in combination with tool compounds, assessment of water energetics, and mutagenesis studies enables SAR exploration to map GPCR-ligand binding hot spots.

Synthesis of substituted phenols by using the ring-closing metathesis/isoaromatization approach

Ring-closing olefin metathesis (RCM) of 4-methylene-1,7-octadien-3-ones 2, followed by isomerization of the carbon-carbon double bond of 6-methylene-2-cyclohexenones 3 from exo to endo, produced various phenols 4. As an application of the method, the RCM/

METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND

Disclosed is a simple method for efficiently and selectively producing a 2-benzylphenol compound. Specifically disclosed is a method for producing a 2-benzylphenol compound represented by the following general formula (2): (wherein R1, R2, R3, R4, R5, R6, R7, R8 and R9 represent the same as defined in the general formula (1) below) which is characterized by reacting a benzylidenecyclohexane compound represented by the following general formula (1): (wherein R1, R2, R3 and R4 may be the same or different and respectively represent a hydrogen atom, an alkyl group or the like; and R5, R6, R7, R8 and R9 may be the same or different and respectively represent a hydrogen atom, an alkyl group or the like) in the presence of a dehydrogenation agent. Consequently, a 2-benzylphenol compound substantially containing no isomers can be produced selectively and efficiently under mild conditions by a simple procedure using an easily-available benzylidenecyclohexane compound as the raw material without requiring a special reaction equipment.