Description

8H-1,2,4-Triazolo[3,4-C][1,4]Oxazinium, 2-[4-(1,1-Dimethylethyl)Phenyl]-5,6-Dihydro-5-(Phenylmethyl)-, (5S)-, Tetrafluoroborate(1-) (1:1) is a high-purity, chiral organic salt with a complex heterocyclic structure, serving as a critical advanced intermediate in modern synthetic chemistry. Its value lies in its role as a specialized building block for constructing novel molecular architectures, particularly in the development of active pharmaceutical ingredients (APIs) and functional materials. This compound is essential for research and process chemists in the pharmaceutical, agrochemical, and specialty chemical industries who require stereochemically defined intermediates for complex synthesis.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of new drug candidates, particularly for central nervous system (CNS) or anti-infective agents.
• Agrochemical Synthesis: Used in the production of advanced, high-efficacy pesticides and herbicides where specific stereochemistry is required for biological activity.
• Ligand & Catalyst Development: Serves as a precursor for creating novel ligands and organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in the synthesis of organic electronic materials or liquid crystals due to its rigid, fused-ring structure.
• Process Chemistry & Scale-up: Utilized in route scouting and optimization for the commercial-scale manufacturing of complex molecules.
• Academic & Institutional Research: A valuable compound for methodological studies in heterocyclic and medicinal chemistry at universities and R&D institutes.

Basic Information

Item	Information
Product Name	8H-1,2,4-Triazolo[3,4-C][1,4]Oxazinium, 2-[4-(1,1-Dimethylethyl)Phenyl]-5,6-Dihydro-5-(Phenylmethyl)-, (5S)-, Tetrafluoroborate(1-) (1:1)
CAS No.	2650518-25-3
Molecular Formula	C22H26BF4N3O
Molecular Weight	435.27 g/mol
Synonyms	(5S)-2-[4-(tert-Butyl)phenyl]-5-(benzyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazinium tetrafluoroborate; (5S)-5-Benzyl-2-(4-tert-butylphenyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-ium tetrafluoroborate; 8H-[1,2,4]Triazolo[3,4-c][1,4]oxazinium, 2-[4-(1,1-dimethylethyl)phenyl]-5,6-dihydro-5-(phenylmethyl)-, (5S)-, tetrafluoroborate(1-); Chiral Triazoloxazinium Tetrafluoroborate Salt; Advanced Chiral Heterocyclic Salt
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is characterized using advanced analytical techniques including HPLC, NMR, and chiral analysis. A comprehensive Certificate of Analysis (COA) detailing identity, purity, chiral purity, and impurity profiles is provided with every shipment, supporting compliance with cGMP and ICH Q7 guidelines for pharmaceutical intermediates.

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 should be handled under dry conditions to prevent degradation. Keep the container tightly sealed in a desiccator when not in use.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (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.