1019453-85-0

Basic information

• Product Name: 2-((2,4-DiMethylphenyl)thio)phenylaMine
• Synonyms: 2-((2,4-DiMethylphenyl)thio)phenylaMine;2-[(2,4-diMethylphenyl)thio]-BenzenaMine;2-((2,4-dimethylphenyl)thio)aniline
• CAS NO: 1019453-85-0
• Molecular Formula: C₁₄H₁₅NS
• Molecular Weight: 229.3406
• EINECS: -0
• Mol File: 1019453-85-0.mol

Chemical Properties

• Boiling Point: 341.3±30.0 °C(Predicted)
• Appearance: /
• Density: 1.14±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 3.12±0.10(Predicted)
• CAS DataBase Reference: 2-((2,4-DiMethylphenyl)thio)phenylaMine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-((2,4-DiMethylphenyl)thio)phenylaMine(1019453-85-0)
• EPA Substance Registry System: 2-((2,4-DiMethylphenyl)thio)phenylaMine(1019453-85-0)

Safety Data

• Hazardous Substances Data: 1019453-85-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
2-((2,4-DiMethylphenyl)thio)phenylaMine is used as a research compound for studying N-O-glucuronide metabolites of Lu AA21004 (Vortioxetine [V766000]), an antidepressant medication. Its involvement in this research is crucial for understanding the metabolic pathways and potential drug interactions of Vortioxetine, contributing to the development of safer and more effective treatments for depression.

Upstream product

• 1610527-49-5 2,4-dimethyl-1-[(2-nitro-phenyl)-sulfanyl]-benzene 
• 88-73-3 2-Chloronitrobenzene 
• 615-36-1 2-bromoaniline 
• 78839-75-5 2-bromo-N-(tert-butoxycarbonyl)aniline 
• 1425794-19-9 2-(2,4-dimethylphenylsulfanyl)phenyl carbamic acid tert-butyl ester 
• 1493-27-2 ortho-nitrofluorobenzene 
• 4214-28-2 1-iodo-2,4-dimethylbenzene 
• 137-07-5 2-amino-benzenethiol 
• 577-19-5 2-nitrophenyl bromide 
• 98968-72-0 tert-butyl 2-fluorophenylcarbamate 
• 348-54-9 2-Fluoroaniline 
• 95-16-9 1,3-Benzothiazole 
• 95-66-9 2,4-dimethylchlorobenzene 
• 583-70-0 1-bromo-2,4-dimethylbenzene 

Downstream Products

• 4212-74-2 2,4-dimethylphenyl phenyl sulfone 
• 110348-44-2 2,4-dimethylbenzothiophene 5,5-dioxide 
• 1393733-77-1 (2S,3S,4S,5R,6S)-6-{4-[2-(2,4-dimethyl-phenylsulfanyl)-phenyl]-piperazin-1-yloxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid 
• 960203-27-4 Vortioxetine hydrobromide 
• 1393644-67-1 4-[2-(2,4-dimethyl-phenylsulfanyl)-phenyl]-piperazin-1-ol 
• 1425794-21-3 4-(2-(2,4-dimethylphenylthio)phenyl)thiomorpholine 
• 1425794-23-5 4-(2-(2,4-dimethylphenylthio)phenyl)-1-methylthiomorpholin-1-ium tetrafluoroborate 
• 1425794-20-2 4-(2-(2,4-dimethylphenylthio)phenyl)thiomorpholine-3,5-dione 
• 960203-28-5 Vortioxetine hydrochloride 
• 508233-74-7 vortioxetine 

Relevant articles and documents

Heterogeneous Iron-Catalyzed Hydrogenation of Nitroarenes under Water-Gas Shift Reaction Conditions

Reduction of various nitroarenes in the presence of heterogeneous iron oxide-based catalyst Fe 2 O 3 /NGr@C under water-gas shift reaction (WGSR) conditions has been demonstrated. The catalytic material is prepared in a straightforward manner via deposition/pyrolysis of iron-phenanthroline complex on carbon support. It shows high chemoselectivity towards the reduction of nitroarenes in the presence of other reducible and/or poisoning-capable functional groups. Hydrogenation is achieved using CO/H 2 O as a hydrogen source. Furthermore, it is demonstrated that the presence of triethylamine additive has a significant positive effect on the rate of reduction.

Environmentally Benign Large-Scale Synthesis of a Precursor to Vortioxetine

An eco-friendly, high-yielding, and transition-metal-free synthesis of 2-[(2,4-dimethylphenyl)thio]aniline precursor to vortioxetine is reported. Vortioxetine, a multi-modal acting drug with high affinity for a range of serotonergic targets, is used for the treatment of major depressive disorder (MDD). The synthesis - applicable in multi-gram scale - involves the reaction of bis(2,4-dimethyl)iodonium bromide with commercial 2-aminophenyl disulfide, whereas its reaction with 2-aminothiophenol afforded the same product but in low to moderate yields. This method works equally well in deep eutectic solvents (DESs), based on choline chloride (ChCl).

Coupling of thiols and aromatic halides promoted by diboron derived super electron donors

We have proven that pyridine-boryl complexes can be used as superelectron donors to promote the coupling of thiols and aromatic halides through a SRN1 mechanism. The reaction is efficient for a broad substrate scope, tolerating heterocycles including pyridines, enolizable or reducible functional groups. The method has been applied to intermediates in drug synthesis as well as interesting functionalized polythioethers through a controlled and consecutive intramolecular electron transfer process.

Chemoselective Hydrogenation of Nitroarenes Using an Air-Stable Base-Metal Catalyst

The reduction of nitroarenes to anilines as well as azobenzenes to hydrazobenzenes using a single base-metal catalyst is reported. The hydrogenation reactions are performed with an air-and moisture-stable manganese catalyst and proceed under relatively mild reaction conditions. The transformation tolerates a broad range of functional groups, affording aniline derivatives and hydrazobenzenes in high yields. Mechanistic studies suggest that the reaction proceeds via a bifunctional activation involving metal-ligand cooperative catalysis.

Manufacturing method of vortioxetine hydrobromide

Is a process for preparing fluoxetine hydrobromide used as an antidepressant. Provided is 1 [(2 dimethylphenyl) sulfanyl] aniline represented by chemical formula 4 - and bis (-chloroethyl) amine hydrochloride and hydrobromic acid represented by the following chemical formula - 2 - are reacted with benzothiazole represented 2,4- by the following general formula 4 or 3 and 2 - 2- [(2,4-dimethylphenyl) sulfanyl] aniline. The method according to claim 6, wherein the thioxanthine hydrobromide is represented by the following formula. Chemical Formula 1. Chemical Formula 2. Chemical Formula 3. Chemical Formula 4. Chemical Formula 6.

Preparation method of 1-[2-(2, 4-dimethylthiophenyl)-phenyl]piperazine

The invention relates to a preparation method of 1-[2-(2,4-dimethylthiophenyl)-phenyl]piperazine. The method comprises the steps that 2,4-dimethylthiophenol and 1-halogen-2-nitrobenzene carry out a substitution reaction to prepare 2-(2,4-dimethylthiophenyl) nitrobenzene, 2-(2,4-dimethylthiophenyl) nitrobenzene is reduced to prepare 2-(2,4-dimethylthiophenyl)aniline, and 2-(2,4-dimethylthiophenyl)aniline and bis(2-chloroethyl)amine hydrochloride carry out a cyclization reaction to prepare 1-[2-(2,4-dimethylthiophenyl)-phenyl]piperazine. According to the preparation method, 2,4-dimethylthiophenol and 1-halogen-2-nitrobenzene are used as starting materials, and a substitution reaction, a reduction reaction and a cyclization reaction are carried out to prepare the target compound. The three-step reaction is low in cost, high in yield and easy to purify and industrialize.

Preparation method of (by machine translation)

The benzothiazole derivatives are dissociated into o-aminophenylsulfated phenol under the catalysis of copper (II) or copper salt and react under the catalysis of copper or (III), copper salt to give a protected V-oxiracetaine, 2,4 - and the protected V 2 - (2,4 -cetine compound can) be (V) obtained 2 - (2,4 - under the action of) a (V) compound under (2 - the action) - 4 - of a reaction (VI) rate of Ts (dvcetine) (VII): Ts (dvcetine) (VII) (Mg STR9 (I) # STR9#). The synthesis method is easy to obtain, simple in process, low in cost, high in purity and suitable for industrial production. (by machine translation)

METHOD AND CATALYST FOR PREPARING ANILINE COMPOUNDS AND USE THEREOF

The present invention provides a method for preparing aniline compounds, and also provides a kind of catalyst and use thereof. This method for synthesizing an aniline compound in the invention includes following steps: use molybdenum oxide and activated carbon as catalyst, hydrazine hydrate as reducing agent, then reduce aromatic nitro compounds to aniline compounds. This method is green and high efficiency, and easy to be applied in industry.

Method for synthesizing aniline compound, catalyst and application thereof

The invention provides a method for synthesizing an aniline compound, and further provides a catalyst and an application thereof. The method for synthesizing the aniline compound includes the following steps: taking molybdenum-based oxide and activated carbon as catalysts; taking hydrazine hydrate as a reducing agent; and reducing an aromatic nitro compound to the aniline compound. The method forsynthesizing the aniline compound has the characteristics of green and high efficiency, easy industrial application and the like.

A ONE-POT ORGANO-PSEUDOCATALYTIC C-H ACTIVATION APPROACH FOR THE PREPARATION OF VORTIOXETINE AND VORTIOXETINE INTERMEDIATE

The present invention relates to a novel process for the preparation of Vortioxetine and a key intermediate thereof by employing a novel one-pot organo-pseudocatalytic C-H activation approach via hypervalent iodine chemistry.