91077-12-2

Basic information

• Product Name: Ethyl 2-(4-chlorophenylsulfinyl)acetate
• Synonyms: Ethyl 2-(4-chlorophenylsulfinyl)acetate;2-[(4-Chlorophenyl)sulfinyl]acetic acid ethyl ester
• CAS NO: 91077-12-2
• Molecular Formula: C₁₀H₁₁ClO₃S
• Molecular Weight: 246.71054
• Mol File: 91077-12-2.mol

Chemical Properties

• Boiling Point: 384 °C at 760 mmHg
• Flash Point: 186 °C
• Appearance: /
• Density: 1.36 g/cm³
• Vapor Pressure: 4.22E-06mmHg at 25°C
• Refractive Index: 1.587
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Ethyl 2-(4-chlorophenylsulfinyl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 2-(4-chlorophenylsulfinyl)acetate(91077-12-2)
• EPA Substance Registry System: Ethyl 2-(4-chlorophenylsulfinyl)acetate(91077-12-2)

Safety Data

• Hazardous Substances Data: 91077-12-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 2-(4-chlorophenylsulfinyl)acetate is used as a key intermediate for the synthesis of various pharmaceutical compounds. Its versatile reactivity allows for the creation of a wide range of drug molecules, contributing to the development of new medications and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, Ethyl 2-(4-chlorophenylsulfinyl)acetate is employed as a building block in the synthesis of various agrochemical products. Its role in the production of pesticides and other agricultural chemicals helps improve crop protection and yield.
Used in Organic Synthesis:
Ethyl 2-(4-chlorophenylsulfinyl)acetate is utilized as a versatile reagent in organic synthesis, enabling the formation of a diverse array of chemical compounds. Its reactivity in chemical reactions makes it a valuable component in the synthesis of complex organic molecules.
Used in Medicinal Chemistry:
Ethyl 2-(4-chlorophenylsulfinyl)acetate is used as a starting material in the development of drugs, with potential applications in medicinal chemistry. Its properties and reactivity contribute to the discovery and creation of novel therapeutic agents, advancing the field of drug development.

InChI:InChI=1/C10H11ClO3S/c1-2-14-10(12)7-15(13)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3

Upstream product

• 105-36-2 ethyl bromoacetate 
• 106-54-7 p-Chlorothiophenol 
• 52377-68-1 ethyl 2-(p-chlorophenylthio)acetate 

Downstream Products

• 91077-14-4 ethyl (2E)-2-(p-chlorophenylsulfinyl)-2-hexenoate 
• 1365175-28-5 ethyl 2-(4-chlorobenzenesulfinyl)-5-phenylpent-2-enoate 
• 91077-17-7 ethyl (2E)-2-(p-chlorophenylsulfinyl)-2-decenoate 

Relevant articles and documents

Liquid chromatography/electrospray ionisation mass spectrometric tracking of 4-hydroxy-2(E)-nonenal biotransformations by mouse colon epithelial cells using [1,2-13C2]-4-hydroxy-2(E)-nonenal as stable isotope tracer

4-Hydroxy-2(E)-nonenal (HNE), a product of lipid peroxidation, has been extensively studied in several areas, including metabolism with radio-isotopes and quantification in various matrices with deuterium-labelled HNE as standard. The aim of this work was to evaluate the relevance of 13C-labelled HNE in biotransformation studies to discriminate metabolites from endogens by liquid chromatography/electrospray ionisation mass spectrometry (LC/ESI-MS). 13C-Labelled HNE was synthesised inimproved overall yield (20%), with the incorporation of two labels in the molecule. Immortalisedmouse colon epithelial cells were incubated with 2:3 molar amounts of HNE/13C-HNE in order to gain information on the detection of metabolites in complex media. Our results demonstrated that the stable isotope m/z values determined by mass spectrometry were relevant in distinguishing metabolites from endogens, and that metabolite structures could be deduced. Six conjugate metabolites and 4-hydroxy-2(E)-nonenoic acid were identified, together with an incompletely identified metabolite. Stable-isotope-labelled HNE has already been used for quantification purposes. However, this is the first report on the use of 13C-labelled HNE as a tracer for in vitro metabolism. 13C-Labelled HNE could also be of benefit for in vivo studies. Copyright

Kinetics and Mechanism of Oxidation of Ethyl Phenylthioacetates by Bromamine-B

The kinetics of oxidation of several substituted ethyl phenylthiacetates by bromamine-B (sodium salt of N-bromobenzenesulfonamide) has been studied in 50percent (v/v) aqueous ethanol medium.Disodium hydrogenphosphate and sodium dihydrogenphosphate buffer

Conversion of 2-Sulfinylated 2-Alkenoate Esters to (2E,4E)-2,4-Alkadienoate Esters by Pyrolysis

Thermal reaction of ethyl (2E)-2-phenylsulfinyl-2-alkenoates (E-2) prepared from aldehydes and ethyl 2-phenylsulfinylacetate have been investigated.Refluxing of E-2 or their Z-isomers in xylene resulted in the formation of ethyl (2E,4E)-2,4-alkanedioates accompanied by ethyl (2E)-4-hydroxy-2-alkenoates.Ethyl 2-cycloalkylidene-2-phenylsulfinylacetates were found to be more susceptible to pyrolysis.The enoate esters (2) undergo migration of their carbon-carbon double bond and then sigmatropic rearrangement to benzenesulfenate esters, followed by thermolytic extrusion of a benzenesulfenic acid probably via ethyl(2E)-4-phenylsulfinyl-2-alkenoates to afford ethyl (2E,4E)-2,4-alkadienoates.