14503-40-3

Basic information

• Product Name: 2-(4-methylphenyl)ethyl 4-methylbenzenesulfonate
• Synonyms: benzeneethanol, 4-methyl-, 4-methylbenzenesulfonate
• CAS NO: 14503-40-3
• Molecular Formula: C₁₆H₁₈O₃S
• Molecular Weight: 290.3773
• Mol File: 14503-40-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 441.9°C at 760 mmHg
• Flash Point: 221.1°C
• Density: 1.174g/cm³
• Vapor Pressure: 1.36E-07mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 2-(4-methylphenyl)ethyl 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-methylphenyl)ethyl 4-methylbenzenesulfonate(14503-40-3)
• EPA Substance Registry System: 2-(4-methylphenyl)ethyl 4-methylbenzenesulfonate(14503-40-3)

Safety Data

• Hazardous Substances Data: 14503-40-3(Hazardous Substances Data)

Usage

Type of compound

organic compound, sulfonate ester

Structure

contains a sulfonate group attached to a phenyl ring and an ethyl group

Uses

reagent in organic synthesis and chemical reactions, moisture scavenger and stabilizer in plastic and polymer formulations, flavoring agent in the food and beverage industry

Physical properties

mild odor, relatively stable under normal conditions

Upstream product

• 699-02-5 4-Methylphenethyl alcohol 
• 98-59-9 p-toluenesulfonyl chloride 
• 622-47-9 4-tolylacetic acid 

Downstream Products

• 32327-68-7 p-methyl-2-phenylethyl chloride 
• 104-15-4 toluene-4-sulfonic acid 
• 1738-20-1 N-(2-(4-Methylphenyl)ethyl)aniline 
• 22532-47-4 4-methylphenethyl acetate 

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.

Combination preparation of estrogen and anti-estrogen

The invention describes a combination preparation of an oestrogen and an antioestrogen, characterized in that the oestrogen is selected from the group consisting of 17-β-oestradiol, 17-α-ethynyloestradiol, oestriol, oestrone, oestrone sulphate, oestrogen sulphamates, 17α-oestradiol, mestranol, stilboestrol and naturally conjugated oestrogens and in that the antioestrogen is a substituted 7α-(ξ-aminoalkyl)oestratriene of the general formula I The combination preparation according to the invention can be used for hormone substitution therapy.