Description

(R)-Benzyl-2-[4-(Trifluoromethyl)Phenyl]-6,7-Dihydro-5H-Pyrrolo[2,1-C][1,2,4]Triazolium Tetrafluoroborate is a high-purity, chiral ionic liquid and advanced pharmaceutical intermediate of significant synthetic value. Its core value lies in its role as a key building block for the development of novel active pharmaceutical ingredients (APIs), particularly in asymmetric synthesis and medicinal chemistry research. This compound is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries seeking to incorporate a structurally complex, trifluoromethylated chiral scaffold into their target molecules.

Application

• Pharmaceutical Intermediate: A critical chiral building block for the synthesis of novel drug candidates, especially in central nervous system (CNS) and oncology research.
• Asymmetric Catalysis: Serves as a precursor or component in chiral catalysts and ligands for enantioselective synthesis.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies to explore the impact of the trifluoromethyl group and fused triazolium structure on bioactivity.
• Agrochemical Development: Employed in the research and synthesis of advanced, high-performance pesticides and herbicides.
• Material Science: Potential application in the development of specialized ionic liquids with unique electrochemical or solvent properties.
• Process Chemistry: Used for scaling up and optimizing synthetic routes for complex heterocyclic compounds in pilot plants.

Basic Information

Product Name	(R)-Benzyl-2-[4-(Trifluoromethyl)Phenyl]-6,7-Dihydro-5H-Pyrrolo[2,1-C][1,2,4]Triazolium Tetrafluoroborate
CAS No.	862095-77-0
Molecular Formula	C20H17BF4N4
Molecular Weight	400.18 g/mol
Synonyms	(R)-Benzyl-2-(4-(trifluoromethyl)phenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate; (R)-2-(4-(Trifluoromethyl)phenyl)-1-benzyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate; 1-Benzyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate, (R)-; CAS 862095-77-0; Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium tetrafluoroborate, (R)-
EINECS	Contact for details

Quality Control

Our (R)-Benzyl-2-[4-(Trifluoromethyl)Phenyl]-6,7-Dihydro-5H-Pyrrolo[2,1-C][1,2,4]Triazolium Tetrafluoroborate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral purity verification by HPLC, to ensure it meets the high standards required for pharmaceutical R&D. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided and can be tailored to meet specific client requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and must be handled under anhydrous conditions to maintain stability and purity. For long-term storage, consider storing under an inert atmosphere such as argon or nitrogen.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.