Description

Bicyclo[2.2.2]Octane-1-Carbonitrile, 4-[4-Methyl-5-[2-(Trifluoromethyl)Phenyl]-4H-1,2,4-Triazol-3-Yl]- is a high-value, synthetically advanced chemical building block featuring a rigid bicyclic framework integrated with a triazole pharmacophore. This compound matters for its role as a key intermediate in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals, where its unique three-dimensional structure can impart specific biological activity and metabolic stability. It is primarily needed by research and development teams in the pharmaceutical, agrochemical, and specialty chemical industries for lead optimization and the synthesis of complex target molecules.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of novel drug candidates, particularly in central nervous system (CNS) and oncology research programs.
• Agrochemical Research: Used in the development of new-generation herbicides, fungicides, and insecticides, leveraging the triazole moiety's bioactivity.
• Ligand Synthesis: Serves as a precursor for creating specialized ligands in catalysis and materials science due to its sterically defined, electron-deficient character.
• Chemical Biology Probe Development: Employed in the design of molecular probes to study enzyme function and protein-protein interactions.
• Advanced Material Precursor: Potential use in synthesizing monomers for high-performance polymers with specific thermal or optical properties.

Basic Information

Product Name	Bicyclo[2.2.2]Octane-1-Carbonitrile, 4-[4-Methyl-5-[2-(Trifluoromethyl)Phenyl]-4H-1,2,4-Triazol-3-Yl]-
CAS No.	719274-84-7
Molecular Formula	C19H19F3N4
Molecular Weight	360.38 g/mol
Synonyms	4-[4-Methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carbonitrile; 1-Cyano-4-[4-methyl-5-(2-trifluoromethylphenyl)-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane; Bicyclo[2.2.2]octane-1-carbonitrile, 4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)-; 719274-84-7; 4-(4-Methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octane-1-carbonitrile
EINECS	Contact for details

Quality Control

Our Bicyclo[2.2.2]Octane-1-Carbonitrile, 4-[4-Methyl-5-[2-(Trifluoromethyl)Phenyl]-4H-1,2,4-Triazol-3-Yl]- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and structural identity. Certificates of Analysis (COA) detailing purity, impurities, and other critical parameters are provided with every shipment to support your R&D and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). The compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for long-term storage to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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