40230-95-3

Basic information

• Product Name: 1-((TRIMETHYLSILYL)ETHYNYL)-4-TRIFLUORO&
• Synonyms: 1-((TRIMETHYLSILYL)ETHYNYL)-4-TRIFLUORO&;1-[(Trimethylsilyl)ethynyl]-4-(trifluoromethyl)benzene, 97%;1-[(Trimethylsilyl)ethynyl]-4-(trifluoromethyl)benzene,[4-(Trifluoromethyl)phenyl](trimethylsilyl)acetylene;triMethyl((4-(trifluoroMethyl)phenyl)ethynyl)silane;1-[(Trimethylsilyl)ethynyl]-4-(trifluoromethyl)benzene 97%;4-(2-Trimethylsilylethynyl)trifluoromethylbenzene
• CAS NO: 40230-95-3
• Molecular Formula: C₁₂H₁₃F₃Si
• Molecular Weight: 242.3123296
• Mol File: 40230-95-3.mol
• Article Data: 43

Chemical Properties

• Boiling Point: 80 °C0.1 mm Hg(lit.)
• Flash Point: 135 °F
• Appearance: /
• Density: 1.029 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.191mmHg at 25°C
• Refractive Index: n20/D 1.4760(lit.)
• CAS DataBase Reference: 1-((TRIMETHYLSILYL)ETHYNYL)-4-TRIFLUORO&(CAS DataBase Reference)
• NIST Chemistry Reference: 1-((TRIMETHYLSILYL)ETHYNYL)-4-TRIFLUORO&(40230-95-3)
• EPA Substance Registry System: 1-((TRIMETHYLSILYL)ETHYNYL)-4-TRIFLUORO&(40230-95-3)

Safety Data

• Safety Statements: 24/25
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 40230-95-3(Hazardous Substances Data)

Usage

General Description

1-((trimethylsilyl)ethynyl)-4-trifluorobenzene, also known as TES-PhC& (TPF), is a chemical compound with the molecular formula C10H7F3Si. It is a substituted aromatic compound that contains a trimethylsilyl-ethynyl group and three trifluoromethyl groups. TES-PhC& is commonly used as a building block in organic synthesis, particularly in the production of functional materials and pharmaceuticals. It is known for its high reactivity and selectivity in various chemical reactions, making it a valuable tool in synthetic chemistry. Additionally, TES-PhC& has been studied for its potential applications in organic electronics, as well as in the development of new materials with unique properties.

InChI:InChI=1/C12H13F3Si/c1-16(2,3)9-8-10-4-6-11(7-5-10)12(13,14)15/h4-7H,1-3H3

Upstream product

• 455-13-0 4-Iodobenzotrifluoride 
• 1066-54-2 trimethylsilylacetylene 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 6224-91-5 trimethyl(prop-1-ynyl)silane 
• 119757-51-6 1,2-bis(4-(trifluoromethyl)phenyl)ethyne 
• 75867-39-9 4-trimethylsilylethynyl aniline 
• 540-37-4 p-aminoiodobenzene 
• 75-77-4 chloro-trimethyl-silane 
• 705-31-7 4-trifluoromethylphenylacetylene 
• 27607-77-8 trimethylsilyl trifluoromethanesulfonate 
• 40231-03-6 2-(trimethylsilylethynyl)thiophene 
• 996-50-9 N,N-diethyl-1,1,1-trimethylsilanamine 

Downstream Products

• 1192889-56-7 (Z)-1-(4-trifluoromethylphenyl)-2-(trimethylsilyl)ethene 
• 1211510-03-0 (1,3-bis(2-pyridylimino)isoindoline(-1H))(4-(trifluoromethyl)phenylethynyl)platinum(II) 
• 370-99-0 4-trifluoromethyldiphenylethyne 
• 1595282-15-7 (Z)-trimethyl(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(4-(trifluoromethyl)phenyl)vinyl)silane 
• 1595282-18-0 (Z)-trimethyl{1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(4-(trifluoromethyl))phenyl]vinyl}silane 
• 3792-88-9 3-[4-(trifluoromethyl)phenyl]-2-propynoic acid 
• 1242770-50-8 (E)-4,4,5,5-tetramethyl-2-(4-trifluoromethylphenyl-vin-1-yl)-1,3,2-dioxaborolane 
• 1453503-93-9 (E)-2-(1H-pyrrol-1-yl)-3-((4-(trifluoromethyl)phenyl)(trimethylsilyl)methylene)isoindolin-1-one 
• 600144-07-8 methyl (2Z,4E)-5-((p-(trifluoromethyl))phenyl)penta-2,4-dienoate 
• 443360-58-5 methyl (2E,4E)-5-((p-(trifluoromethyl))phenyl)penta-2,4-dienoate 
• 1421932-27-5 ethyl 6-(hydroxymethyl)-4-((4-(trifluoromethyl)phenyl)ethynyl)pyridin-2-yl(phenyl)phosphinate 
• 459832-23-6 2-(4-trifluoromethyl-phenyl-ethynyl)-pyridine 
• 1338916-63-4 5-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)-4-(trimethylsilyl)-1H-1,2,3-triazole 
• 1338916-66-7 1-(adamant-1-yl)-5-[4-(trifluoromethyl)phenyl]-4-(trimethylsilyl)-1H-1,2,3-triazole 

Relevant articles and documents

Inverting Conventional Chemoselectivity in the Sonogashira Coupling Reaction of Polyhalogenated Aryl Triflates with TMS-Arylalkynes

A newly developed phosphine ligand with a C2-cyclohexyl group on the indole ring was successfully applied in a chemoselective Sonogashira coupling reaction with excellent chemoselectivity, affording an inversion of the conventional chemoselectivity order of C–Br > C–Cl > C–OTf. This study also provided an efficient approach to the synthesis of polycyclic aromatic hydrocarbons (PAHs) and the natural product analogue trimethyl-selaginellin L by merging of chemoselective Sonogashira and Suzuki–Miyaura coupling reactions.

Iodonium Cation-Pool Electrolysis for the Three-Component Synthesis of 1,3-Oxazoles

The synthesis of 1,3-oxazoles from symmetrical and unsymmetrical alkynes was realized by an iodonium cation-pool electrolysis of I2 in acetonitrile with a well-defined water content. Mechanistic investigations suggest that the alkyne reacts with the acetonitrile-stabilized I+ ions, followed by a Ritter-type reaction of the solvent to a nitrilium ion, which is then attacked by water. The ring closure to the 1,3-oxazoles released molecular iodine, which was visible by the naked eye. Also, some unsymmetrical internal alkynes were tested and a regioselective formation of a single isomer was determined by two-dimensional NMR experiments.

Molybdenum Benzylidyne Complexes for Olefin Metathesis Reactions

The molybdenum benzylidynes [ArCMo(OC(CF3)2CH3)3(1,2-dimethoxyethane)], where Ar = Ph (2a), p-(OCH3)C6H4 (2b), p-(CF3)C6H4 (2c), p-(NO2)C6H4 (2d), or 4-(NO2)-3-(CF3)C6H3 (2e), and [p-(NO2)C6H4CMo(OC(CF3)2CH3)3] (2f) catalyze the ring-closing metathesis (RCM) reaction of diallyl N-tosylamide (3) to produce 1-tosyl-2,5-dihydro-1H-pyrrole (4) and ethylene. The scope of RCM catalytic activity of 2e, cross-metathesis of 1-hexene, and ring-opening metathesis polymerization of cyclooctene were explored. The X-ray crystal structure of 2e was determined. Variable-temperature 1H NMR spectra revealed the formation of intermediates during the reaction of 3 with 2f and the reforming of 2f after completion of the reaction. The use of 13C-labeled Mo benzylidyne did not show transfer of the carbon atom next to Mo to any of the products.