5107-52-8

Basic information

• Product Name: 2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate
• CAS NO: 5107-52-8
• Molecular Formula: C₁₆H₁₈O₄S
• Molecular Weight: 306.3767
• Mol File: 5107-52-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 463.5°C at 760 mmHg
• Flash Point: 234.1°C
• Density: 1.201g/cm³
• Vapor Pressure: 2.5E-08mmHg at 25°C
• Refractive Index: 1.558
• CAS DataBase Reference: 2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate(5107-52-8)
• EPA Substance Registry System: 2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate(5107-52-8)

Safety Data

• Hazardous Substances Data: 5107-52-8(Hazardous Substances Data)

Usage

General Description

2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate is a chemical compound with the molecular formula C16H18O3S. It is a derivative of both 4-methoxyphenyl and 4-methylbenzenesulfonate. 2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate is commonly used as an intermediate for the synthesis of pharmaceuticals and agrochemicals. It is also used in the production of various flavors and fragrances. The chemical is a white to slightly yellow crystalline powder that is sparingly soluble in water but soluble in organic solvents. It is important to handle this compound with care as it may cause irritation to the skin, eyes, and respiratory system if not properly handled.

Upstream product

• 104-01-8 4-Methoxyphenylacetic acid 
• 702-23-8 2-(4-Methoxyphenyl)ethanol 
• 98-59-9 p-toluenesulfonyl chloride 
• 824-94-2 p-methoxybenzyl chloride 
• 42866-92-2 2-(4-methoxyphenyl)acetaldehyde dimethyl acetal 
• 5703-26-4 4-Methoxyphenylacetaldehyde 
• 74447-45-3 2-(4-methoxyphenyl)methyl-1,3-dithiane 

Downstream Products

• 68844-77-9 astemizole 
• 73735-61-2 (1-benzyl-1H-benzimidazol-2-yl)-(1-(2-(4-methoxyphenyl)ethyl)-piperidin-4-yl)amine 
• 113733-05-4 2-[2-(4-methoxyphenyl)ethylamino]ethanol 
• 1208110-06-8 (2RS)-7-methoxy-1'-[2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-spiro[naphthalene-2,2'-piperidin]-1-one 
• 1208110-13-7 (2RS)-7-methoxy-1'-[2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-spiro[naphthalene-2,2'-piperidin]-1-one hydrochloride 
• 1620061-29-1 (4-methoxyphenethyl)(trifluoromethyl)thioether 
• 15107-41-2 1-chloro-4-(4-methoxyphenethyl)benzene 

Relevant articles and documents

Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction

Disruption of EZH2-embryonic ectoderm development (EED) protein-protein interaction (PPI) is a new promising cancer therapeutic strategy. We have previously reported the discovery of astemizole, a small-molecule inhibitor targeting the EZH2-EED PPI. Herein, we report the cocrystal structure of EED in complex with astemizole at 2.15 ?. The structure elucidates the detailed binding mode of astemizole to EED and provides a structure-guided design for the discovery of a novel EZH2-EED interaction inhibitor, DC-PRC2in-01, with an affinityKdof 4.56 μM. DC-PRC2in-01 destabilizes the PRC2 complex, thereby leading to the degradation of PRC2 core proteins and the decrease of global H3K27me3 levels in cancer cells. The proliferation of PRC2-driven lymphomas cells is effectively inhibited, and the cell cycle is arrested in the G0/G1 phase. Together, these data demonstrate that DC-PRC2in-01 could be an effective chemical probe for investigating the PRC2-related physiology and pathology and providing a promising chemical scaffold for further development.

Discovery, synthesis, and structure-activity relations of 3,4-dihydro-1H-spiro(naphthalene-2,2′-piperidin)-1-ones as potassium-competitive acid blockers

With the aim to discover a gastric antisecretory agent more potent than the existing proton pump inhibitors, novel 3,4-dihydro-1H-spiro(naphthalene-2,2′-piperidin)-1-one derivatives, which could occupy two important lipophilic pockets (described as LP-1 and LP-2) of H+,K+-ATPase and can strongly bind to the K+-binding site, were designed based on a docking model. Among the compounds synthesized, compound 4d showed a strong H+,K+-ATPase-inhibitory activity and a high stomach concentration in rats, resulting in potent inhibitory action on histamine-stimulated gastric acid secretion in rats. Furthermore, 4d exerted significant inhibitory action on histamine-stimulated gastric-acid secretion in rats with a rapid onset and moderate duration of action after the administration. These findings may lead to a new insight into the drug design of potassium-competitive acid blockers.

Opioid ligands with mixed properties from substituted enantiomeric N-phenethyl-5-phenylmorphans. Synthesis of a -agonist δ-antagonist and δ-inverse agonists

Enantiomeric N-phenethyl-m-hydroxyphenylmorphans with various substituents in the ortho, meta or para positions of the aromatic ring in the phenethylamine side-chain (chloro, hydroxy, methoxy, nitro, methyl), as well as a pyridylethyl and a indolylethyl m