570-04-7

Basic information

• Product Name: 2,5-DIMETHYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-PYRROLE
• Synonyms: 2,5-DiMethyl-1-[3-(trifluoroMethyl)phenyl]pyrrole
• CAS NO: 570-04-7
• Molecular Formula: C₁₃H₁₂F₃N
• Molecular Weight: 239.24
• Mol File: 570-04-7.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 288.9°Cat760mmHg
• Flash Point: 128.5°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 0.00394mmHg at 25°C
• Refractive Index: 1.499
• CAS DataBase Reference: 2,5-DIMETHYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-PYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-PYRROLE(570-04-7)
• EPA Substance Registry System: 2,5-DIMETHYL-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-PYRROLE(570-04-7)

Safety Data

• Hazardous Substances Data: 570-04-7(Hazardous Substances Data)

Usage

Biological Activities

Antimicrobial: Potential to inhibit the growth of microorganisms.
Antifungal: Ability to combat fungal infections.
Antioxidant: Capable of neutralizing harmful free radicals in biological systems.

Medicinal Chemistry & Pharmaceutical Research

Interest in exploring its pharmacological properties for potential therapeutic applications.

Synthetic Utility

Used as a building block in the synthesis of more complex organic molecules.

Industrial Applications

Potential use in various industrial processes.

Material and Technological Development

Potential involvement in the development of new materials and technologies.

InChI:InChI=1/C13H12F3N/c1-9-6-7-10(2)17(9)12-5-3-4-11(8-12)13(14,15)16/h3-8H,1-2H3

Upstream product

• 98-16-8 3-trifluoromethylaniline 
• 110-13-4 2,5-hexanedione 
• 98-46-4 3-trifluoromethylnitrobenzene 

Downstream Products

• 207233-99-6 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole-3-carbaldehyde 

Relevant articles and documents

Cascade Synthesis of Pyrroles from Nitroarenes with Benign Reductants Using a Heterogeneous Cobalt Catalyst

A bifunctional 3d-metal catalyst for the cascade synthesis of diverse pyrroles from nitroarenes is presented. The optimal catalytic system Co/NGr-C@SiO2-L is obtained by pyrolysis of a cobalt-impregnated composite followed by subsequent selective leaching. In the presence of this material, (transfer) hydrogenation of easily available nitroarenes and subsequent Paal–Knorr/Clauson-Kass condensation provides >40 pyrroles in good to high yields using dihydrogen, formic acid, or a CO/H2O mixture (WGSR conditions) as reductant. In addition to the favorable step economy, this straightforward domino process does not require any solvents or external co-catalysts. The general synthetic utility of this methodology was demonstrated on a variety of functionalized substrates including the preparation of biologically active and pharmaceutically relevant compounds, for example, (+)-Isamoltane.

ANDROGEN RECEPTOR ANTAGONISTS

Compounds that inhibit the androgen receptor, pharmaceutical compositions comprising one or more of the compounds, as well as methods of treating cancer using such compounds are described.

The Paal-Knorr reaction revisited. A catalyst and solvent-free synthesis of underivatized and N-substituted pyrroles

A new, modified synthesis of pyrroles is described. The reaction of 2,5-hexandione with a variety of amines yielded the expected pyrrole analogues in excellent yields. The reactions were carried out under the ultimate green conditions excluding both catalyst and solvent applying simple stirring at room temperature. The variety of amines include aqueous ammonium hydroxide for the synthesis of pyrroles with a free NH group, and benzylamines, anilines and phenylene-diamines for the synthesis of several N-derivatized pyrroles. The reaction also occurs efficiently with a variety of 1,4-diketones, although the reaction rates and yields are lower for the diketones that do not possess terminal methyl group(s). This journal is