570-05-8

Basic information

• Product Name: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PYRROLE
• Synonyms: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE;2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PYRROLE;2,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrrole 97%;2,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrrole97%
• CAS NO: 570-05-8
• Molecular Formula: C₁₃H₁₂F₃N
• Molecular Weight: 239.24
• Mol File: 570-05-8.mol
• Article Data: 9

Chemical Properties

• Melting Point: 70-72°C
• Boiling Point: 282.1°Cat760mmHg
• Flash Point: 124.4°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 0.00584mmHg at 25°C
• Refractive Index: 1.499
• CAS DataBase Reference: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PYRROLE(570-05-8)
• EPA Substance Registry System: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PYRROLE(570-05-8)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 570-05-8(Hazardous Substances Data)

Usage

General Description

2,5-Dimethyl-1-[4-(Trifluoromethyl)phenyl]pyrrole is a chemical compound with a complex structure that involves both pyrrole and phenyl rings. The compound includes different atomic groups and elements such as hydrogen, carbon, nitrogen, and fluorine, which allows for diverse chemical behavior. The trifluoromethyl group (CF3) attached to the phenyl ring is a strong electron-withdrawing group, which could influence the reactivity of this compound. Unfortunately, specific details regarding the physical and chemical properties, uses, or potential hazards of this particular compound are not readily available in common databases, suggesting that it might not be widely used or studied. More research would be needed to provide a comprehensive view of this compound and its potential applications or implications.

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

Upstream product

• 455-14-1 4-trifluoromethylphenylamine 
• 110-13-4 2,5-hexanedione 
• 2923-16-2 potassium trifluoroacetate 
• 288608-09-3 1-(2,5-dimethyl-1H-pyrrol-1-yl)-4-iodobenzene 
• 540-37-4 p-aminoiodobenzene 

Downstream Products

• 256529-25-6 2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrole-3-carbaldehyde 
• 1428183-46-3 C₂₂H₂₁F₃N₂O₃ 
• 455-14-1 4-trifluoromethylphenylamine 

Relevant articles and documents

A New FXR Ligand Chemotype with Agonist/Antagonist Switch

Therapeutic modulation of the bile acid-sensing transcription factor farnesoid X receptor (FXR) is an appealing strategy to counteract hepatic and metabolic diseases. Despite the availability of several highly potent FXR agonists structural diversity of FXR modulators is limited, and new ligand scaffolds are needed. Here we report structure-activity relationship elucidation of a new FXR modulator chemotype whose activity can be tuned between agonism and antagonism by two minor structural modifications. Starting from a weak FXR/PPAR agonist, we have developed selective FXR activators and antagonists with nanomolar to low-micromolar potencies and binding affinities. The new FXR ligand chemotype modulates the FXR activity in the native cellular setting, is endowed with favorable metabolic stability, and lacks cytotoxicity. It valuably expands the collection of FXR modulators as a new scaffold for FXR-targeted drug discovery.

Copper-catalyzed and additive free decarboxylative trifluoromethylation of aromatic and heteroaromatic iodides

A copper-catalyzed decarboxylative trifluoromethylation of (hetero)aromatic iodides has been developed. Importantly, this new copper-catalyzed reaction operates in the absence of any ligands and metal additives. The protocol shows good functional group tolerance and is compatible with heteroaromatic systems. The reaction proved scalable to a 15 mmol scale with increased yield. Finally, late-stage installation of the trifluoromethyl functionality afforded the N-trifluoroacetamide variant of the antidepressant agent, Prozac, demonstrating the applicability of the developed method.

Novel and highly efficient preparation of pyrroles using supported ionic liquid ILCF3SO3@SiO2 as a heterogeneous catalyst

Abstract: A supported ionic liquid ILCF3SO3@SiO2 was synthesized and used as a highly efficient catalyst in the Paal–Knorr reaction for the preparation of pyrroles. The heterogeneous catalyst could be easily recovered and recycled for five times without noticeable loss of catalytic activity. Also a possible reaction mechanism is provided.