Description

1-Azabicyclo[2.2.2]Octane-3-Methanethiol(9Ci) is a specialized bicyclic tertiary amine derivative featuring a methanethiol functional group, serving as a valuable and versatile chiral building block in advanced organic synthesis. Its unique constrained "quinuclidine" scaffold and sulfur moiety make it a critical intermediate for constructing complex molecular architectures with precise stereochemistry. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries, particularly for developing novel active ingredients, chiral ligands, and functional materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of active pharmaceutical ingredients (APIs), especially in neurologic and antiviral drug discovery.
• Catalyst & Ligand Precursor: Used to develop novel chiral catalysts and ligands for asymmetric synthesis, enhancing reaction selectivity and yield.
• Agrochemical Research: Serves as a building block for creating new generation herbicides, fungicides, and plant growth regulators with improved efficacy.
• Material Science: Employed in the synthesis of advanced polymers and functional materials where the rigid bicyclic structure imparts specific thermal or mechanical properties.
• Chemical Biology Probe: Utilized in bioconjugation and as a scaffold for developing molecular probes to study enzyme mechanisms and protein interactions.

Basic Information

Product Name	1-Azabicyclo[2.2.2]Octane-3-Methanethiol(9Ci)
CAS No.	774523-64-7
Molecular Formula	C8H15NS
Molecular Weight	157.28 g/mol
Synonyms	3-(Mercaptomethyl)quinuclidine; Quinuclidine-3-methanethiol; 1-Azabicyclo[2.2.2]octane-3-methanethiol; 3-Thiomethylquinuclidine; 1-Azabicyclo[2.2.2]octan-3-ylmethanethiol; (1-Azabicyclo[2.2.2]oct-3-yl)methanethiol; 3-(Mercaptomethyl)-1-azabicyclo[2.2.2]octane
EINECS	Contact for details

Quality Control

Our 1-Azabicyclo[2.2.2]Octane-3-Methanethiol(9Ci) is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. This material is easily oxidized and light-sensitive; avoid exposure to air, moisture, and direct light.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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