13616-83-6

Basic information

• Product Name: di(2,4-xylyl) disulphide
• Synonyms: di(2,4-xylyl) disulphide;Bis(2,4-xylyl) persulfide;2,4-Xylyl disulfide;Disulfide, bis(2,4-dimethylphenyl);Einecs 237-101-6;Vortioxetine Impurity 18;Vortioxetine impurity H
• CAS NO: 13616-83-6
• Molecular Formula: C₁₆H₁₈S₂
• Molecular Weight: 274.44412
• EINECS: 237-101-6
• Mol File: 13616-83-6.mol
• Article Data: 18

Chemical Properties

• Melting Point: 265 °C
• Boiling Point: 365.1°Cat760mmHg
• Flash Point: 174.6°C
• Appearance: /
• Density: 1.13g/cm³
• Vapor Pressure: 3.39E-05mmHg at 25°C
• Refractive Index: 1.628
• Storage Temp.: -20°C, Inert atmosphere
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: di(2,4-xylyl) disulphide(CAS DataBase Reference)
• NIST Chemistry Reference: di(2,4-xylyl) disulphide(13616-83-6)
• EPA Substance Registry System: di(2,4-xylyl) disulphide(13616-83-6)

Safety Data

• Hazardous Substances Data: 13616-83-6(Hazardous Substances Data)

Usage

Description

Di(2,4-xylyl) disulphide, also known as bis(2,4-dimethylphenyl) disulfide, is an organic compound with the chemical formula C16H16S2. It is characterized by its disulfide bond and two methyl groups attached to the phenyl rings. di(2,4-xylyl) disulphide is often found as an impurity in the pharmaceutical compound vortioxetine hydrobromide, which is a multimodal serotonergic agent.

Uses

Used in Pharmaceutical Industry:
Di(2,4-xylyl) disulphide is used as a reactant in the preparation of vortioxetine salts through a new synthetic path. This application is significant because it aids in the production of a medication that targets various serotonin receptors and SERT, potentially benefiting patients with conditions related to serotonin dysregulation.
Additionally, while not explicitly mentioned in the provided materials, di(2,4-xylyl) disulphide may also have potential applications in other industries, such as the chemical or materials science fields, due to its unique structural properties. However, without further information, it is not possible to detail these applications with certainty.

InChI:InChI=1/C16H18S2/c1-11-5-7-15(13(3)9-11)17-18-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3

Upstream product

• 13616-82-5 2,4-dimethyl-thiophenol 
• 88-61-9 2,4-dimethylbenzenesulfonic acid 
• 609-60-9 2,4-dimethylbenzenesulfonyl chloride 
• 68978-26-7 m-xylene-4-sulfonic acid, potassium salt 
• 925430-09-7 tricyclopropylbismuthane 
• 1070-42-4 di(2-chloroethyl)phosphite 
• 6163-85-5 bis(2-methoxyethyl) phosphonate 
• 868-85-9 Dimethyl phosphite 
• 1809-21-8 di-n-propyl phosphonate 
• 123-56-8 Succinimide 
• 1442637-86-6 bis(2,4-dimethylphenylthiomethyl)-(1-methylbenzimidazol-2-ylmethyl)amine 
• 411235-57-9 cyclopropylboronic acid 

Downstream Products

• 13616-82-5 2,4-dimethyl-thiophenol 
• 508233-74-7 vortioxetine 
• 960203-42-3 4-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester 
• 35293-50-6 1,3-dimethyl-4-thiocyanatobenzene 
• 1374639-70-9 (2,4-dimethylphenyl)(perfluorophenyl)sulfane 
• 1374639-65-2 1,4-bis(2,4-dimethylphenylthio)-2,3,5,6-tetrafluorobenzene 
• 1229513-97-6 (3-fluorophenyl)-2,4-dimethylphenylsulfide 
• 1229514-31-1 (3,4,5-trifluorophenyl)-2,4-dimethylphenylsulfide 

Relevant articles and documents

Synthesis method of substituted thiophenol (by machine translation)

The invention provides a method for synthesizing substituted thiophenol, which comprises the following steps of preparing compound V compound and NaHSO3 Or KHHSO3 Reaction synthesis IV compound, compound of formula IV and SO2 Reaction-synthesis III compounds of formula III are passed NaBH in NaOH solution. 4 Of formula II is reduced and the compound of formula II is acidified to give a compound of formula I. The method for synthesizing the substituted thiophenol has the advantages of greenness, high efficiency, easiness in industrial application and the like. (by machine translation)

First use of an organobismuth reagent in C(sp3)–S bond formation: Access to aryl cyclopropyl sulfides via copper-catalyzed S–Cyclopropylation of thiophenols using tricyclopropylbismuth

The direct S-cyclopropylation of thiophenols using tricyclopropylbismuth is reported. The reaction is catalyzed by copper(II) acetate and operates under mild conditions to afford the corresponding aryl cyclopropyl sulfides in moderate to good yields. This reaction represents the first use of an organobismuth reagent in C(sp3)–S bond formation.

A 1, 2 - b (2, 4 - dimethyl phenyl) sulfide preparation method

The invention discloses a 1, 2 - b (2, 4 - dimethyl phenyl) sulfide preparation method, comprises the following steps: the 2, 4 - dimethyl thiophenol, ethyl acetate mix, dropping hydrogen peroxide solution, then stir at room temperature 1 - 3 h, mix, and purified 1, 2 - b (2, 4 - dimethyl phenyl) sulfide. The invention has simple operation, high yield, the prepared for 1, 2 - b (2, 4 - dimethyl phenyl) sulfide purity is good, is the impurity research provide a high-purity impurity reference substance, improve the safety of the of the [...][...] hydrobromide.