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Diethyl [2-(phenylthio)ethyl]malonate is an organic compound with the chemical formula C16H20O4S, acting as a malonate ester derivative. It is characterized by the presence of a dimethyl malonate functional group and a 2-phenylthioethyl group, which contribute to its versatile reactivity and applicability in various chemical transformations. diethyl [2-(phenylthio)ethyl]malonate is widely recognized as a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, heterocyclic compounds, and as a crosslinking agent in polymer chemistry.

1558-97-0

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1558-97-0 Usage

Uses

Used in Organic Synthesis:
Diethyl [2-(phenylthio)ethyl]malonate is used as a building block in organic synthesis for its ability to undergo various chemical transformations, making it a key component in the creation of complex organic molecules.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, diethyl [2-(phenylthio)ethyl]malonate is utilized as an intermediate for the synthesis of pharmaceuticals, owing to its unique structural features that can be manipulated to achieve desired biological activities.
Used in Agrochemicals Synthesis:
Diethyl [2-(phenylthio)ethyl]malonate is employed as a precursor in the development of agrochemicals, contributing to the production of effective compounds for agricultural applications.
Used in Heterocyclic Compounds Preparation:
diethyl [2-(phenylthio)ethyl]malonate is used as a reagent in the preparation of heterocyclic compounds, which are important in various areas of chemistry, including pharmaceuticals and materials science.
Used in Polymer Chemistry as a Crosslinking Agent:
Diethyl [2-(phenylthio)ethyl]malonate is utilized as a crosslinking agent in polymer chemistry, enhancing the properties of polymers through the formation of covalent bonds between polymer chains.
Overall, diethyl [2-(phenylthio)ethyl]malonate is a multifaceted compound with broad applications across different industries in chemistry and chemical engineering, underscoring its significance in modern scientific research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 1558-97-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,5,5 and 8 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1558-97:
(6*1)+(5*5)+(4*5)+(3*8)+(2*9)+(1*7)=100
100 % 10 = 0
So 1558-97-0 is a valid CAS Registry Number.
InChI:InChI=1/C15H20O4S/c1-3-18-14(16)13(15(17)19-4-2)10-11-20-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3

1558-97-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 2-(2-phenylsulfanylethyl)propanedioate

1.2 Other means of identification

Product number -
Other names (2-Phenylmercapto-aethyl)-malonsaeure-diaethylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1558-97-0 SDS

1558-97-0Relevant academic research and scientific papers

Photoredox and weak Br?nsted base dual catalysis: Alkylation of α-thio alkyl radicals

Alfonzo, Edwin,Hande, Sudhir M.

, p. 12590 - 12595 (2020)

We report the C?H activation of thioethers to α-thio alkyl radicals and their addition to electron-deficient olefins to afford alkylated products through dual photoredox and weak Br?nsted base catalysis. Mechanistic studies are consistent with a two-step activation mechanism, where oxidation of thioethers to their corresponding sulfide radical cations by an acridinium photoredox catalyst is followed with deprotonation by trifluoroacetate to generate α-thio alkyl radicals and trifluoroacetic acid (TFA). Experimental studies support the involvement of TFA in all subsequent steps leading to product formation.

A Giese reaction for electron-rich alkenes

Huang, Qi,Suravarapu, Sankar Rao,Renaud, Philippe

, p. 2225 - 2230 (2021/02/27)

A general method for the hydroalkylation of electron-rich terminal and non-terminal alkenes such as enol esters, alkenyl sulfides, enol ethers, silyl enol ethers, enamides and enecarbamates has been developed. The reactions are carried out at room temperature under air initiation in the presence of triethylborane acting as a chain transfer reagent and 4-tert-butylcatechol (TBC) as a source of hydrogen atom. The efficacy of the reaction is best explained by very favorable polar effects supporting the chain process and minimizing undesired polar reactions. The stereoselective hydroalkylation of chiralN-(alk-1-en-1-yl)oxazolidin-2-ones takes place with good to excellent diastereocontrol.

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