56773-33-2

Basic information

• Product Name: 3'-(TRIFLUOROMETHYLTHIO)ACETOPHENONE
• Synonyms: 1-(3-TRIFLUOROMETHYLSULFANYL-PHENYL)-ETHANONE;3'-(TRIFLUOROMETHYLTHIO)ACETOPHENONE;3-(TRIFLUOROMETHYLTHIO)ACETOPHENONE;3''-[(Trifluoromethyl)-mercapto]-acetophenone;3'-(Trifluoromethylthio)acetophenone98%;1-[3-[(trifluoromethyl)thio]phenyl]ethanone
• CAS NO: 56773-33-2
• Molecular Formula: C₉H₇F₃OS
• Molecular Weight: 220.21
• Mol File: 56773-33-2.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 197.9°Cat760mmHg
• Flash Point: 73.5°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 0.37mmHg at 25°C
• Refractive Index: 1.503
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 3'-(TRIFLUOROMETHYLTHIO)ACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3'-(TRIFLUOROMETHYLTHIO)ACETOPHENONE(56773-33-2)
• EPA Substance Registry System: 3'-(TRIFLUOROMETHYLTHIO)ACETOPHENONE(56773-33-2)

Safety Data

• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: TOXIC
• Hazardous Substances Data: 56773-33-2(Hazardous Substances Data)

Usage

General Description

3'-(Trifluoromethylthio)acetophenone is a specialty chemical compound that is primarily used in organic synthesis. The molecular formula of this compound is C9H7F3OS and it is characterized by its trifluoromethylthio (containing three fluorine atoms) and acetophenone structures. The physical properties of 3'-(trifluoromethylthio)acetophenone may vary based on the conditions under which it is stored or processed, and it should be handled with standard laboratory safety precautions. Its specific uses may vary according to the needs and goals of the specific chemical synthesis process in which it is used.

InChI:InChI=1/C9H7F3OS/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3

Upstream product

• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 811-68-7 silver(I) trifluoromethanethiolate 
• 138313-22-1 3-acetylphenyl trifluoromethanesulfonate 
• 14428-55-8 3-acetylphenyl thiocyanate 
• 2923-16-2 potassium trifluoroacetate 
• 99-03-6 1-(3-aminophenyl)ethanone 
• 14452-30-3 3'-iodoacetophenone 
• 3872-23-9 Copper(I) trifluoromethanethiolate 
• 946-65-6 3-(trifluoromethylthio)benzoic acid 
• 917-54-4 methyllithium 

Downstream Products

• 1100768-00-0 1-(3-trifluoromethanesulfinyl-phenyl)-ethanone 
• 1100768-01-1 1-(3-trifluoromethanesulfonyl-phenyl)-ethanone 
• 56773-34-3 m-Trifluormethylthio-α-bromacetophenon 
• 1100768-13-5 N-(4-carbamimidoyl-phenyl)-N'-[1-(3-trifluoromethanesulfonyl-phenyl)-ethyl]-malonamide trifluoroacetate 
• 1100768-10-2 N-(4-carbamimidoyl-phenyl)-N'-[(S)-1-(3-trifluoromethanesulfonyl-phenyl)-ethyl]-malonamide trifluoroacetate 
• 1100767-99-4 N-(4-carbamimidoyl-phenyl)-N'-[1-(3-trifluoromethanesulfinyl-phenyl)-ethyl]-malonamide trifluoroacetate 
• 1100768-11-3 1-(3-trifluoromethanesulfonyl-phenyl)-ethylamine 
• 1100768-02-2 1-(3-trifluoromethanesulfinyl-phenyl)-ethylamine 
• 765917-10-0 (3-trifluoromethylsulfanylphenyl)-oxoacetaldehyde 

Relevant articles and documents

Transition-Metal-Free Synthesis of Aryl Trifluoromethyl Thioethers through Indirect Trifluoromethylthiolation of Sodium Arylsulfinate with TMSCF3

Herein, we report an indirect trifluoromethylthiolation of sodium arylsulfinates. This transition-metal-free reaction significantly provides an environmentally friendly and practical synthetic method for aryl trifluoromethyl thioethers using commercial Ruppert-Prakash reagent TMSCF3. This approach is also a potential alternative to the current industrial production method owing to facile substrates, excellent functional group compatibility, and operational simplicity.

Copper-Mediated Oxidative Trifluoromethylthiolation of Potassium Aryltrifluoroborates with Elemental Sulfur and Ruppert-Prakash Reagent

A facile procedure for the copper-mediated oxidative trifluoromethylthiolation of potassium aryl- and heteroaryltrifluoroborates with Ruppert-Prakash reagent and elemental sulfur is presented. Aryl trifluoromethyl thioethers can be prepared in good to mod

Triphenylphosphine-Mediated Deoxygenative Reduction of CF3SO2Na and Its Application for Trifluoromethylthiolation of Aryl Iodides

We report herein a practical method for taming Langlois' reagent CF3SO2Na to generate CuSCF3 by a triphenylphospine-mediated deoxygenative reduction process. This chemistry highlights a novel utilization of the inherent CF3S skeleton of Langlois' reagent as a CF3S feedstock under mild conditions. The CuSCF3 intermediate generated by this protocol can react with a wide array of supporting ligands to furnish several air-stable [LCu(SCF3)] complexes as valuable trifluoromethylthiolating agents. In addition, the CuSCF3 intermediate can be directly employed for the trifluoromethylthiolation of (hetero)aryl iodides with operational simplicity and atomic efficiency. Efficient synthesis! A low cost method for the generation of CuSCF3 by a triphenylphospine-mediated deoxygenative reduction of Langlois' reagent (CF3SO2Na) has been developed (see scheme). This method can be applied for the convenient synthesis of a wide array of ligated and air-stable CuSCF3 complexes. Additionally, the CuSCF3 complexes generated in situ by this protocol were found to trifluoromethylthiolate (hetero)aryl iodides with high efficiency.