Description

8H-1,2,4-Triazolo[3,4-C][1,4]Oxazin-4-Ium, 2,5,6,8-Tetrahydro-2-(2,3,4,5,6-Pentafluorophenyl)-5-(Phenylmethyl)-, (5S)-, Tetrafluoroborate(1-) (1:1) is a high-purity, chiral organic salt with a complex heterocyclic structure, designed for advanced synthetic applications. This compound is valued for its role as a key chiral intermediate or building block in the development of novel active pharmaceutical ingredients (APIs) and specialty chemicals. It is primarily targeted at pharmaceutical R&D and fine chemical synthesis sectors, where precise molecular architecture and stereochemical control are paramount.

Application

• Pharmaceutical Intermediate: A critical chiral building block in the synthesis of potential new drug candidates, particularly in medicinal chemistry research.
• Agrochemical Research: Used in the development of advanced, high-performance crop protection agents and pesticides.
• Ligand and Catalyst Precursor: Serves as a sophisticated precursor for chiral ligands or organocatalysts in asymmetric synthesis.
• Material Science Research: Investigated for incorporation into specialty polymers or advanced organic electronic materials due to its unique fused ring system.
• Academic and Industrial R&D: Employed in chemical research laboratories for method development and exploring new synthetic pathways.
• Custom Synthesis: A starting material for contract research organizations (CROs) and CDMOs engaged in bespoke chemical manufacturing.

Basic Information

Product Name	8H-1,2,4-Triazolo[3,4-C][1,4]Oxazin-4-Ium, 2,5,6,8-Tetrahydro-2-(2,3,4,5,6-Pentafluorophenyl)-5-(Phenylmethyl)-, (5S)-, Tetrafluoroborate(1-) (1:1)
CAS No.	2758767-35-8
Molecular Formula	C18H13BF9N3O
Molecular Weight	469.12 g/mol
Synonyms	(5S)-2,5,6,8-Tetrahydro-2-(pentafluorophenyl)-5-(phenylmethyl)-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate; (5S)-2-(2,3,4,5,6-Pentafluorophenyl)-5-benzyl-2,5,6,8-tetrahydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate; CAS 2758767-35-8; Chiral Triazolooxazinium Salt; Pentafluorophenyl-Benzyl Triazolooxazinium BF4 Salt
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced and tested under strict quality management protocols to ensure identity, purity, and consistency. Standard quality assurance includes HPLC for chiral purity and assay, 1H/19F/11B NMR for structural confirmation, and Karl Fischer titration for water content. A comprehensive Certificate of Analysis (COA) detailing all specifications and test results is provided with each shipment to support your regulatory and R&D documentation needs.

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 material is hygroscopic (moisture-sensitive) and must be handled under a dry inert atmosphere (e.g., nitrogen or argon) when opening the primary container to prevent degradation. Keep away from incompatible materials.

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%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Heavy Metals	< 10 ppm

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