960203-42-3

Basic information

• Product Name: 4-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester
• Synonyms: 4-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester
• CAS NO: 960203-42-3
• Molecular Formula: C₂₃H₃₀N₂O₂S
• Molecular Weight: 398.5615
• EINECS: -0
• Mol File: 960203-42-3.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 495.9±45.0 °C(Predicted)
• Appearance: /
• Density: 1.17±0.1 g/cm3(Predicted)
• PKA: 2.43±0.10(Predicted)
• CAS DataBase Reference: 4-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester(960203-42-3)
• EPA Substance Registry System: 4-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester(960203-42-3)

Safety Data

• Hazardous Substances Data: 960203-42-3(Hazardous Substances Data)

Usage

General Description

The chemical 4-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester is a compound with a complex structure containing a piperazine ring, a carboxylic acid group, and a tert-butyl ester moiety. It also includes a sulfanylphenyl group which contains two methyl substituents. 4-[2-(2,4-DiMethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester has potential pharmacological activity and may be used in research or drug development. Its specific properties and potential applications would need to be further studied and characterized.

Upstream product

• 1011-13-8 1-(2-bromophenyl)piperazine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 367-11-3 ortho-difluorobenzene 
• 1541160-62-6 1-((2-bromo)-phenylthio)pyrrolidine-2,5-dione 
• 6320-02-1 o-bromothiophenol 
• 1609659-20-2 tert-butyl 4-(2-iodophenyl)piperazine-1-carboxylate 
• 960203-41-2 (2′-bromophenyl)(2,4-dimethylphenyl)sulfane 
• 50606-33-2 piperazine-1-carboxylic acid phenyl ester 
• 75-65-0 tert-butyl alcohol 
• 13616-82-5 2,4-dimethyl-thiophenol 
• 583-55-1 1-Bromo-2-iodobenzene 
• 88284-48-4 2-(trimethylsilyl)phenyl trifluoromethanesulfonate 
• 583-53-9 2,3-dibromobenzene 

Downstream Products

• 508233-74-7 vortioxetine 
• 960203-27-4 Vortioxetine hydrobromide 
• 960203-28-5 Vortioxetine hydrochloride 
• 960203-36-5 Vortioxetine phosphate 
• 960203-35-4 1-[2-(2,4-dimethylphenylsulfanyl)-phenyl]piperazine sulfate 
• 960203-29-6 Vortioxetine mesylate 
• 960203-37-6 Vortioxetine nitrate 

Relevant articles and documents

A method for preparing vortioxetine

The present invention provides a method for preparing vortioxetine, which takes commercially available 2,4-dimethylthiophenol as raw material under certain conditions, three steps to synthesize vortioxetine. The preparation method of the present invention

Redox-active benzimidazolium sulfonamides as cationic thiolating reagents for reductive cross-coupling of organic halides

Redox-active benzimidazolium sulfonamides as thiolating reagents have been developed for reductive C-S bond coupling. The IMDN-SO2R reagent provides a bench-stable cationic precursor to generate a portfolio of highly active N-S intermediates, which can be successfully applied in cross-electrophilic coupling with various organic halides. The employment of an electrophilic sulfur source solved the problem of catalyst deactivation and avoided odorous thiols, featuring practical conditions, broad substrate scope, and excellent tolerance.

Robust Buchwald-Hartwig amination enabled by ball-milling

An operationally simple mechanochemical method for the Pd catalysed Buchwald-Hartwig amination of arylhalides with secondary amines has been developed using a Pd PEPPSI catalyst system. The system is demonstrated on 30 substrates and applied in the context of a target synthesis. Furthermore, the performance of the reaction under aerobic conditions has been probed under traditional solution and mechanochemical conditions, the observations are discussed herein.