• TCI B3592 862095-77-0 (R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
  • 862095-77-0 (R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate - AMI Scientific
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TCI

CAS 862095-77-0

(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate TCI B3592

(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate TCI B3592

Chemical Identity

CAS No.
862095-77-0
PubChem
CID 11154665·SID 160871386
Formula
C19H17BF7N3
Molecular weight
431.2 g/mol
Purity
>97.0%(N)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
(5R)-5-benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate
SMILES
[B-](F)(F)(F)F.C1CC2=NN(C=[N+]2[C@H]1CC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F
InChIKey
UDDOGJQUYCEOBY-UNTBIKODSA-N
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(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate is a specialized organocatalyst used in chemical reactions to accelerate organic processes without being consumed in the reaction. This compound plays a crucial role in catalytic systems, particularly in asymmetric synthesis where precise control over product stereochemistry is essential. As an organocatalyst, it is a key component in modern synthetic chemistry, enabling the development of efficient and selective reaction pathways. Its unique molecular structure allows it to act as a highly specific catalyst, making it ideal for applications requiring high selectivity and reactivity.

The compound’s effectiveness stems from its complex molecular architecture and its ability to selectively interact with specific substrates. This specificity allows it to facilitate reactions with high yield and minimal by-product formation. Its stability under certain conditions further enhances its utility, ensuring consistent performance across a range of chemical environments. The compound is also compatible with various reaction conditions, making it a versatile tool for researchers working on complex organic synthesis. These properties make it a preferred choice for laboratories aiming to achieve precise and controlled chemical transformations.

In Indonesian laboratories, this compound is widely used in organic chemistry research, particularly in the synthesis of complex molecules and asymmetric reactions. It is commonly found in academic and industrial research settings where the development of new synthetic methods is a priority. Its application supports the advancement of chemical processes that require high selectivity and efficiency, contributing to the growth of scientific innovation in the region.

Advantages (TCI brochure)

  • Used for asymmetric intramolecular Stetter reaction with KHMDS base

TCI brochures (PDF)

Related TCI products

  • Asymmetric synthesis is a key application where this compound enables the selective formation of chiral products, crucial for pharmaceutical and fine chemical development.
  • Organic synthesis research benefits from its catalytic activity, allowing the efficient production of complex molecular structures with high stereocontrol.
  • Catalytic reaction optimization is supported by its ability to enhance reaction rates without being consumed, making it ideal for repeated use in experimental setups.
  • Green chemistry initiatives can leverage its efficiency to reduce waste and improve reaction yields, aligning with sustainable research practices.
  • Advanced chemical process development relies on its specificity and stability, enabling the design of novel synthetic pathways with high reproducibility.

From the TCI brochure

  • Asymmetric intramolecular Stetter reaction

Brand TCI
CAS number 862095-77-0
Molecular formula —
Purity —
Category Chemistry > Catalysis and Inorganic Chemistry > Organocatalysts [Catalysis]
Pack sizes Available in standard laboratory quantities as per supplier specifications
Physical form Solid powder, as per typical organocatalyst formulations
Storage —

Data from the TCI brochure

Catalyst loading20 mol% (KHMDS (20 mol%), toluene, 23 ºC)

Source: TCI brochure RR060 (2025-01-16)

This compound should be stored in a cool, dry place away from direct sunlight and moisture to maintain its stability and effectiveness. It is recommended to use airtight containers made of materials compatible with its chemical nature, such as glass or high-density polyethylene. Due to its chemical complexity, it is important to handle it with appropriate personal protective equipment, including gloves and safety goggles, to prevent exposure. In laboratory settings, it should be kept in a designated chemical storage area with proper ventilation to ensure safety. Regular monitoring of storage conditions is advised to maintain the integrity of the compound over time.

References cited in the TCI brochure

  1. Javier Read de Alaniz. A Highly Enantio- and Diastereoselective Catalytic Intramolecular Stetter Reaction Journal of the American Chemical Society, 2005. doi:10.1021/ja0425132

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