Description

(5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-triMethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-Methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxaziniuM tetrafluoroborate is a high-purity, complex heterocyclic salt compound designed for advanced chemical synthesis. This product serves as a critical intermediate or building block in the development of novel active pharmaceutical ingredients (APIs) and specialty agrochemicals. It is essential for research and manufacturing organizations in the pharmaceutical, agrochemical, and fine chemical industries seeking to develop new molecules with specific biological activities.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in central nervous system (CNS) or anti-infective therapeutic areas.
• Agrochemical Research: Used in the development of new generation pesticides and herbicides, leveraging its complex fused-ring structure.
• Chemical Synthesis: Serves as a versatile precursor for creating complex molecular architectures in medicinal and process chemistry.
• Academic & R&D: A valuable compound for university and corporate research laboratories exploring new heterocyclic chemistry and structure-activity relationships (SAR).
• Process Development: Used in scale-up and optimization studies for the commercial production of high-value specialty chemicals.

Basic Information

Product Name	(5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-triMethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-Methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxaziniuM tetrafluoroborate
CAS No.	1037287-81-2
Molecular Formula	C₂₁H₂₁BF₉N₄O
Molecular Weight	512.22 g/mol
Synonyms	6,11,11-Trimethyl-2-(pentafluorophenyl)-6,9-methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazinium tetrafluoroborate; Pentafluorophenyl-substituted triazolobenzoxazinium tetrafluoroborate; Methanobenzoxazolo-triazolium salt; BF4 salt of triazolobenzoxazinium derivative; Complex fluorinated heterocyclic salt; Advanced pharmaceutical intermediate 1037287-81-2
EINECS	Contact for details

Quality Control

Our (5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-triMethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-Methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxaziniuM tetrafluoroborate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing including HPLC, NMR, and mass spectrometry to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and available upon request, supporting compliance in regulated applications.

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 kept under inert atmosphere or in a desiccator after opening 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
Purity (HPLC)	≥ 98.0%
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.