346-44-1

Basic information

• Product Name: alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene
• Synonyms: alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene;2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene
• CAS NO: 346-44-1
• Molecular Formula: C₁₃H₈F₃NO₂S
• Molecular Weight: 299.2683296
• EINECS: 206-470-5
• Mol File: 346-44-1.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 345.8°Cat760mmHg
• Flash Point: 162.9°C
• Appearance: /
• Density: 1.44g/cm³
• CAS DataBase Reference: alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene(CAS DataBase Reference)
• NIST Chemistry Reference: alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene(346-44-1)
• EPA Substance Registry System: alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene(346-44-1)

Safety Data

• Hazardous Substances Data: 346-44-1(Hazardous Substances Data)

Usage

General Description

Alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene is a chemical compound with the molecular formula C13H8F3NO2S. It is a derivative of toluene and contains a trifluoromethyl group and a nitro group, as well as a phenylthio substituent. alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene is commonly used in organic synthesis and pharmaceutical research as a building block for the preparation of various pharmaceuticals and agrochemicals. It is also known for its use as a precursor in the production of fluorinated compounds and as a reagent in the synthesis of biologically active molecules. Alpha,alpha,alpha-trifluoro-3-nitro-4-(phenylthio)toluene has potential applications in the fields of medicinal chemistry, pesticides, and materials science due to its unique structural and chemical properties.

Upstream product

• 108-98-5 thiophenol 
• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 367-86-2 1-fluoro-2-nitro-4-trifluoromethyl-benzene 
• 4551-15-9 phenylthiotrimethylsilane 
• 349-03-1 1-bromo-4-trifluoromethyl-2-nitrobenzene 
• 930-69-8 sodium thiophenolate 

Downstream Products

• 52548-95-5 2-(phenylthio)-5-trifluoromethyl-benzonitrile 
• 52549-01-6 2-(phenylthio)-5-trifluoromethyl-phenylacetic acid 
• 52548-96-6 2-phenylthio-5-trifluoromethylbenzoic acid 
• 52549-00-5 2-(phenylthio)-5-trifluoromethyl-phenylacetonitrile 
• 52548-99-9 2-(phenylthio)-5-trifluoromethyl-benzyl chloride 
• 52548-98-8 2-(phenylthio)-5-trifluoromethyl-benzyl alcohol 
• 52548-97-7 methyl 2-(phenylthio)-5-trifluoromethyl-benzoate 
• 52548-94-4 trifluoromethyl-5 phenylthio-2 phenylamine 
• 92-30-8 2-(trifluoromethyl)-10H-phenothiazine 
• 2795-60-0 (2-nitro-4-trifluoromethyl-phenyl)-phenyl sulfone 
• 7130-25-8 2-benzenesulfonyl-5-trifluoromethyl-aniline 

Relevant articles and documents

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Microwave-promoted TBAF-catalyzed SNAr reaction of aryl fluorides and ArSTMS: An efficient synthesis of unsymmetrical diaryl thioethers

Microwave irradiation was found to promote tetrabutylammonium fluoride catalyzed nucleophilic aromatic substitution of aryl fluorides and arylthiotrimethylsilanes, affording high yields of unsymmetrical diaryl thioethers efficiently under mild, transition-metal- and base-free conditions. Microwave showed unusual improvement on the reaction in not only the conditions and reaction rate, but also in selectivity and substrate scope. Georg Thieme Verlag Stuttgart - New York.

The [Cu]-catalyzed SNAR reactions: Direct amination of electron deficient aryl halides with sodium azide and the synthesis of arylthioethers under Cu(II) - Ascorbate redox system

A one pot [Cu]-promoted SNAr reaction of electron-deficient halobenzenes with sodium azide and the reduction of the intermediate aryl azides under the same Cu(II)-ascorbate redox conditions leading to anilines has been documented. Control experiments revealed that both ascorbate and proline play important role in the reaction path way. Further, the use of this catalytic Cu(II)-ascorbate redox system has been explored for the synthesis of arylthioethers.