Description

(1β,2α,4α,5β)-6β-Chloro-3,8-Dioxatricyclo[3.2.1.02,4]Octane-6-Carbonitrile is a high-purity, specialized bicyclic nitrile compound with a unique fused oxetane-oxolane ring system. This structurally complex intermediate is valued for its rigid, three-dimensional scaffold, which is critical for imparting specific stereochemical and electronic properties in advanced synthesis. It serves as a key chiral building block for research and development chemists in the pharmaceutical and agrochemical sectors, particularly in the synthesis of novel active ingredients targeting neurological and metabolic pathways.

Application

• Pharmaceutical Intermediate: A critical chiral synthon for the research and development of novel drug candidates, particularly in central nervous system (CNS) and antiviral therapeutic areas.
• Agrochemical Synthesis: Used in the construction of advanced, stereochemically-defined active ingredients for next-generation herbicides and insecticides.
• Methodology Development: Serves as a challenging substrate in academic and industrial research for developing new asymmetric synthesis and ring-opening polymerization techniques.
• Ligand and Catalyst Precursor: The nitrile and chloro functional groups provide handles for conversion into specialized ligands for asymmetric catalysis or metal-organic frameworks (MOFs).
• Material Science Research: Investigated as a monomer or cross-linking agent for producing polymers with unique thermal and mechanical properties derived from its strained ring system.

Basic Information

Product Name	(1β,2α,4α,5β)-6β-Chloro-3,8-Dioxatricyclo[3.2.1.02,4]Octane-6-Carbonitrile
CAS No.	81800-82-0
Molecular Formula	C8H8ClNO2
Molecular Weight	185.61 g/mol
Synonyms	6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile; (1R,2S,4S,5R)-6-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile; 6-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile; Bicyclic Oxetane-Oxolane Nitrile; Chloro-dioxatricyclooctanecarbonitrile
EINECS	Contact for details

Quality Control

Our (1β,2α,4α,5β)-6β-Chloro-3,8-Dioxatricyclo[3.2.1.02,4]Octane-6-Carbonitrile is manufactured under strict quality management systems. Every batch is subjected to comprehensive analytical testing, including chiral HPLC, NMR, and GC/MS, to ensure identity, purity, and enantiomeric excess meet exacting R&D and cGMP-grade standards. A detailed Certificate of Analysis (COA) with full chromatographic data is provided with each shipment to guarantee traceability and consistency for your critical synthetic applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). The compound may be moisture-sensitive; keep the original container tightly sealed under an inert atmosphere for long-term storage.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%

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