40525-65-3

Basic information

• Product Name: METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE
• Synonyms: METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE
• CAS NO: 40525-65-3
• Molecular Formula: C₁₆H₁₆O₃
• Molecular Weight: 256.3
• Mol File: 40525-65-3.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 364.8°Cat760mmHg
• Flash Point: 152.5°C
• Appearance: /
• Density: 1.129g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.56
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE(40525-65-3)
• EPA Substance Registry System: METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE(40525-65-3)

Safety Data

• Hazardous Substances Data: 40525-65-3(Hazardous Substances Data)

Usage

General Description

METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE, also known as benzeneacetate, is a chemical compound commonly used in the synthesis of various organic materials. It is an ester derivative of benzeneacetic acid, and its molecular structure consists of a benzene ring with a methoxy group attached to the second carbon and a methyl group attached to the first carbon. METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE has potential applications in the pharmaceutical and agrochemical industries, as well as in the production of fragrances and flavors. It is important to handle this chemical with care and follow proper safety protocols due to its potential hazards.

InChI:InChI=1/C16H16O3/c1-18-16(17)11-14-9-5-6-10-15(14)19-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

Upstream product

• 67-56-1 methanol 
• 22047-88-7 2-hydroxyphenylacetic acid benzyl ether 
• 108-94-1 cyclohexanone 
• 90-01-7 salicylic alcohol 
• 3381-87-1 2-benzyloxybenzyl alcohol 
• 92552-22-2 (2-benzyloxyphenyl)acetonitrile 
• 100-39-0 benzyl bromide 
• 23915-08-4 2-benzyloxybenzyl chloride 
• 90-02-8 salicylaldehyde 
• 5896-17-3 2-(phenylmethoxy)benzaldehyde 
• 22446-37-3 methyl (2-hydroxyphenyl)acetate 
• 74-88-4 methyl iodide 
• 614-75-5 2-Hydroxyphenylacetic acid 

Downstream Products

• 119246-56-9 2-(2-benzyloxy-phenyl)-3-(4-methoxy-benzo[1,3]dioxol-5-yl)-3-oxo-propionic acid methyl ester 
• 881672-71-5 dimethyl 2-[2-(benzyloxy)benzyl]malonate 
• 881672-54-4 2,2-dimethyl-propionic acid 3-hydroxy-2-(2-hydroxy-phenyl)-propyl ester 
• 881672-73-7 2-[2-(benzyloxy)phenyl]-1,3-propanediol 
• 881672-60-2 2,2-dimethyl-propionic acid 2-(2-benzyloxy-phenyl)-3-hydroxy-propyl ester 
• 369386-17-4 (2S,3S)-methyl 2-phenyl-2,3-dihydrobenzofuran-3-carboxylate 
• 737766-28-8 (2S,3R)-2-phenyl-3-methoxycarbonyl-2,3-dihydrobenzofuran 
• 103497-78-5 (E)-3-methoxy-2-(2-benzyloxyphenyl)acrylic acid methyl ester 
• 103474-03-9 methyl 3-hydroxy-2-[2'-benzyloxyphenyl]propenoate 
• 56052-43-8 2-(2-Benzyloxyphenyl)ethanol 
• 1262547-34-1 C₁₇H₁₆N₂O₃ 
• 1262547-35-2 C₂₂H₁₈N₂O₃ 
• 1262547-27-2 C₁₈H₁₉NO₃S 
• 114077-42-8 (E)-3-methoxy-2-(2-hydroxyphenyl)-acrylic acid methyl ester 

Relevant articles and documents

Metal-Free Tandem Rearrangement/Lactonization: Access to 3,3-Disubstituted Benzofuran-2-(3H)-ones

A novel metal-free synthesis of 3,3-disubstituted benzofuran-2-(3H)-ones through reacting α-aryl-α-diazoacetates with triarylboranes is presented. Initially, triarylboranes were successfully investigated in α-arylations of α-diazoacetates, however in the presence of a heteroatom in the ortho position, the boron enolate intermediate undergoes an intramolecular rearrangement to form a quaternary center. The intermediate cyclizes to afford valuable 3,3-disubstituted benzofuranones in good yields.

Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety

A series of CAPE derivatives with mono-substituted phenylethanols moiety were synthesized and evaluated by MTT assay on growth of 4 human cancer cell lines (Hela, DU-145, MCF-7 and ECA-109). The substituent effects on the antiproliferative activity were systematically investigated for the first time. It was found that electron-donating and hydrophobic substituents at 2′-position of phenylethanol moiety could significantly enhance CAPE's antiproliferative activity. 2′-Propoxyl derivative, as a novel caffeic acid ester, exhibited exquisite potency (IC50?=?0.4?±?0.02 & 0.6?±?0.03?μM against Hela and DU-145 respectively).

2-Benzyl and 2-phenyl-3-hydroxypropyl pivalates as protein kinase C ligands

A series of 2-benzyl and 2-phenyl-3-hydroxypropyl pivalates designed to incorporate the principal pharmacophores of phorbol esters have been synthesized and tested as PKC-α ligands. Among the analogues, 13c exhibited the most potent binding affinity with a Ki = 0.7 μM. The synthesized analogues were subjected to molecular modeling analysis based on two alternative models of the phorbol pharmacophore and a docking study of 13c was carried out.