106310-21-8

Basic information

• Product Name: 2-(4-TRIFLUOROMETHYLTHIOBENZOXY)-5-NITROTOLUENE
• Synonyms: 2-(4-TRIFLUOROMETHYLTHIOBENZOXY)-5-NITROTOLUENE;3-methyl-4- (4-Trifluoromethylthiobenzoxy)-Nitrobenzene;2-(4-Trifluoromethylthiophenoxy)-5-nitrotoluene;2-(2-Methyl-4-nitrophenoxy)-4-(trifluoroMethyl)benzene-1-thiol
• CAS NO: 106310-21-8
• Molecular Formula: C15H12F3NO3S
• Molecular Weight: 343.32
• Mol File: 106310-21-8.mol

Chemical Properties

• Boiling Point: 393.551 °C at 760 mmHg
• Flash Point: 191.813 °C
• Appearance: /
• Density: 1.396 g/cm³
• Refractive Index: 1.577
• CAS DataBase Reference: 2-(4-TRIFLUOROMETHYLTHIOBENZOXY)-5-NITROTOLUENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-TRIFLUOROMETHYLTHIOBENZOXY)-5-NITROTOLUENE(106310-21-8)
• EPA Substance Registry System: 2-(4-TRIFLUOROMETHYLTHIOBENZOXY)-5-NITROTOLUENE(106310-21-8)

Safety Data

• Hazardous Substances Data: 106310-21-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
2-(4-Trifluoromethylthiobenzoxy)-5-nitrotoluene is used as a key intermediate in the synthesis of various chemical compounds. Its unique structure and properties allow it to be a valuable component in the production of complex organic molecules.
Used in Dye Manufacturing:
In the dye industry, 2-(4-Trifluoromethylthiobenzoxy)-5-nitrotoluene is used as a precursor for the production of dyes. Its chemical properties contribute to the color and stability of the dyes, making it an essential ingredient in this application.
Used in Pharmaceutical Development:
2-(4-Trifluoromethylthiobenzoxy)-5-nitrotoluene is employed as a building block in the development of pharmaceuticals. Its presence in the synthesis process can influence the efficacy and properties of the final drug product, playing a crucial role in the creation of new medications.
Used in Agrochemical Production:
2-(4-TRIFLUOROMETHYLTHIOBENZOXY)-5-NITROTOLUENE is also utilized in the agrochemical sector, where it serves as a component in the synthesis of various agrochemicals. Its role in this industry is to contribute to the development of products that can enhance crop protection and management.
Safety Considerations:
It is imperative to handle 2-(4-Trifluoromethylthiobenzoxy)-5-nitrotoluene with care due to its classification as a hazardous substance. Adhering to safety protocols is essential to mitigate potential health hazards associated with its use.

InChI:InChI=1/C15H12F3NO3S/c1-10-8-12(19(20)21)4-7-14(10)22-9-11-2-5-13(6-3-11)23-15(16,17)18/h2-8H,9H2,1H3

Upstream product

• 13290-74-9 1-chloro-2-methyl-4-nitrobenzene 
• 825-83-2 4-trifluoromethylbenzenethiol 
• 1333415-77-2 4-(4-((trifluoromethyl)thio)phenyl)morpholine 
• 811-68-7 silver(I) trifluoromethanethiolate 
• 30483-75-1 4-bromophenyl-morpholine 
• 1413732-47-4 (2,2'-bipyride-kN₁,kN₁')(1,1,1-trifluoromethanethiolato-kS)-copper 
• 171349-95-4 2-methyl-4-nitro-1-phenoxybenzene 
• 108-95-2 phenol 
• 461-84-7 (4-trifluoromethylthio)phenol 

Relevant articles and documents

Development of Multigram Scale Synthesis of Trifluoromethylthiolating Reagent: (bpy)CuSCF3

A practical and reproducible procedure for the efficient preparation of (bpy)CuSCF3 (1), a copper reagent for trifluoromethylthiolation reaction, is reported. All reaction parameters were optimized, and reagent 1 was synthesized in 26 g scale.

Metal-Free Direct Trifluoromethylthiolation of Aromatic Compounds Using Triptycenyl Sulfide Catalyst

Herein we report an efficient synthetic method for the electrophilic trifluoromethylthiolation of aromatic compounds. The key is to use triptycenyl sulfide (Trip-SMe) and TfOH to enhance the electrophilicity of SCF3 fragment through the formation of sulfonium intermediates. This method enables direct installation of an SCF3 group onto unactivated aromatics at room temperature, adopting a commercially available saccharin-based reagent. Preliminary DFT calculation was carried out to investigate the substitution effect on the catalytic activity.

Preparation method of 3-methyl-4-(4-trifluoromethylthio)benzoxy-nitrobenzene

The invention discloses a preparation method of 3-methyl-4-(4-trifluoromethylthio)benzoxy-nitrobenzene. 4-(trifluoromethylthio)phenol and 3-methyl-4-chloro-nitrobenzene are taken as starting materialsand dissolved in an organic solvent, condensation reaction is performed under the action of a catalyst, water is added for crystallization, and a product is obtained. The method is simple and convenient to operate, has high molar conversion rate and low production cost and is suitable for industrial production, and pollution control is greatly improved.

A 3 - methyl -4 - (4 - trifluro sulfide) oxy nitrobenzene industrial synthetic method

The invention relates to a technical field of drug synthesis, in particular to a 3 - methyl - 4 - (4 - trifluro sulfide) oxy nitrobenzene industrial synthetic method, to 4 - trifluro sulfur phthalimidephenol and 2 - chloro - 5 - nitro-toluene as the raw materials, to potassium carbonate as acid-binding agent, to dimethyl sulfoxide as solvent, in order to toluene as the water removal, 120 - 140 °C reflow reaction to obtain the 3 - methyl - 4 - (4 - trifluro sulfide) oxy nitrobenzene. This invention adopts the toluene - water azeotropic temperature higher than the reaction temperature of the reflow reaction, using toluene and water azeotropy principle, so that the moisture free from the reaction system, thus promoting the reaction; the reaction yield from the existing method of 85% has been raised to about 97 - 98%, and the product does not need to be purified can be put into the next step reaction.

Method for synthesizing nitrobenzene ether from 2-amino-5-nitrotoluene

The invention relates to the technical field of pharmaceutical synthesis and particularly relates to a method for synthesizing nitrobenzene ether from 2-amino-5-nitrotoluene. The method comprises thefollowing steps: reacting by virtue of 2-amino-5-nitroto

An environmentally benign and selective electrochemical oxidation of sulfides and thiols in a continuous-flow microreactor

A practical and environmentally benign electrochemical oxidation of thioethers and thiols in a commercially-available continuous-flow microreactor is presented. Water is used as the source of oxygen to enable the oxidation process. The oxidation reaction utilizes the same reagents in all scenarios and the selectivity is solely governed by the applied potential. The procedure exhibits a broad scope and good functional group compatibility providing access to various sulfoxides (15 examples), sulfones (15 examples) and disulfides (6 examples). The use of continuous flow allows the optimal reaction parameters (e.g. residence time, applied voltage) to be rapidly assessed, to avoid mass- and heat-transfer limitations and to scale the electrochemistry.

Pd-catalyzed synthesis of Ar-SCF3 compounds under mild conditions

Good to excellent yields of aryl trifluoromethyl sulfides, which are an important class of compounds in both the pharmaceutical and agrochemical areas, can be achieved under mild conditions by the Pd-catalyzed reaction of aryl bromides with a trifluoromethylthiolate nucleophile (see scheme). Copyright

Process for preparing 1,3,5-triazinetriones

The novel process STR1 gives the end products, known as animal growth-promoters and coccidiostatics. Intermediates II are new.

Process for preparing 1,3,5-triazinetriones

The novel process STR1 gives the end products, known as animal growth-promoters and cooccidiostatics. Intermediates II are new.