51310-55-5

Basic information

• Product Name: 3-TRIFLUOROMETHYL-1H-INDOLE
• Synonyms: 3-TRIFLUOROMETHYL-1H-INDOLE;1H-Indole, 3-(trifluoroMethyl)-
• CAS NO: 51310-55-5
• Molecular Formula: C₉H₆F₃N
• Molecular Weight: 185.1458496
• Mol File: 51310-55-5.mol
• Article Data: 14

Chemical Properties

• Melting Point: 109-110 °C
• Boiling Point: 256.7°C at 760 mmHg
• Flash Point: 109°C
• Appearance: /
• Density: 1.367g/cm³
• Vapor Pressure: 0.0244mmHg at 25°C
• Refractive Index: 1.555
• Storage Temp.: 2-8°C
• PKA: 15.16±0.30(Predicted)
• CAS DataBase Reference: 3-TRIFLUOROMETHYL-1H-INDOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-TRIFLUOROMETHYL-1H-INDOLE(51310-55-5)
• EPA Substance Registry System: 3-TRIFLUOROMETHYL-1H-INDOLE(51310-55-5)

Safety Data

• Hazardous Substances Data: 51310-55-5(Hazardous Substances Data)

Usage

General Description

3-Trifluoromethyl-1H-indole is a chemical compound with the molecular formula C9H6F3N. It is an indole derivative with a trifluoromethyl group, which is commonly used in pharmaceutical and agrochemical industries as a building block for the synthesis of various compounds. This chemical has shown potential in the development of new drugs and pesticides due to its unique structure and properties. It is also used in organic synthesis to introduce the trifluoromethyl group into other molecules, which can lead to improved biological activity and stability. Additionally, 3-trifluoromethyl-1H-indole has been studied for its potential applications in material science and catalysis. Overall, this compound has a variety of potential uses and is an important building block in the field of organic chemistry.

InChI:InChI=1/C9H6F3N/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8/h1-5,13H

Upstream product

• 120-72-9 indole 
• 1184-76-5 difluorodiiodomethane 
• 383-73-3 bis(trifluoroacetyl)peroxide 
• 2314-97-8 iodotrifluoromethane 
• 26340-47-6 3-Iodo-1H-indole 
• 1961266-44-3 2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate 
• 2926-29-6 Langlois reagent 
• 887144-94-7 Togni's reagent II 
• 147531-11-1 trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt 
• 17983-42-5 trimethylsilyl indole 

Relevant articles and documents

Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ligandless CuCF3

We herein present a flexible approach for the incorporation of CF3 units into a predefined site of electron-rich alkenes that exploits the regiocontrolled introduction of an iodine handle and subsequent trifluoromethylation of the C(sp2)-I bond using fluoroform-derived ligandless CuCF3. The broad substrate scope and functional group tolerance together with the scalability and purity of the resulting products enabled the controlled, late-stage synthesis of single regioisomers of complex CF3-scaffolds, such as sugars, nucleosides (antivirals), and heterocycles (indoles and chromones), with potential for academic and industrial applications.

Nickel(IV)-Catalyzed C-H Trifluoromethylation of (Hetero)arenes

This Article describes the development of a stable NiIV complex that mediates C(sp2)-H trifluoromethylation reactions. This reactivity is first demonstrated stoichiometrically and then successfully translated to a NiIV-catalyzed C-H trifluoromethylation of electron-rich arene and heteroarene substrates. Both experimental and computational mechanistic studies support a radical chain pathway involving NiIV, NiIII, and NiII intermediates.

For the production of sulfur [...] hydrocarbon or heteroaromatic hydrocarbon compound and its preparation method (by machine translation)

The invention discloses a trifluoro-methylthio arene or azacalixarene compound and a preparation method thereof. The preparation method of the trifluoro-methylthio arene or azacalixarene compound comprises the following steps: in an organic solvent, carrying out substitution reaction on a compound shown in a formula I and nitrogen-trifluoro-methylthio saccharin shown in a formula II in presence of a catalyst, so that a compound shown in a formula III is obtained. The preparation method of the trifluoro-methylthio arene or azacalixarene compound has the advantages that reaction materials can be easily controlled to be in single substitution, toxicity is low, and environmental protection is realized; meanwhile, application range of substrate is wide, equipment requirement is low, and operation is simple. The general formula (I), the general formula (II) and the formula (III) are described in the specification.