Description

4-Methylbicyclo[2.2.2]octane-1-thiol is a specialized organosulfur compound featuring a rigid, cage-like bicyclic structure. This unique molecular architecture imparts distinct steric and electronic properties, making it a valuable intermediate for advanced chemical synthesis and materials science research. It is particularly sought after by R&D chemists and process engineers in the pharmaceutical, agrochemical, and specialty polymer industries for applications requiring precise control over molecular shape and reactivity.

Application

• Pharmaceutical Intermediate: Serves as a key chiral building block or ligand precursor in the synthesis of novel active pharmaceutical ingredients (APIs), especially for central nervous system (CNS) targeted drugs.
• Agrochemical Synthesis: Used in the development of new-generation pesticides and herbicides, where its bulky thiol group can contribute to unique biological activity and selectivity.
• Polymer Modification & Cross-linking Agent: Acts as a functional monomer or chain-transfer agent to introduce sterically hindered thiol groups into polymers, modifying thermal stability, adhesion, or cross-linking density.
• Catalyst & Ligand Development: Employed in organometallic chemistry to create novel ligands for asymmetric catalysis, leveraging its three-dimensional structure to induce chirality in reactions.
• Flavor & Fragrance Chemistry: Potential use in the synthesis of complex sulfur-containing aroma compounds due to its stable, yet reactive, thiol functionality.
• Materials Science Research: Investigated for creating self-assembled monolayers (SAMs) on metal surfaces or as a component in advanced organic electronic materials.

Basic Information

Product Name	4-Methylbicyclo[2.2.2]octane-1-thiol
CAS No.	39825-77-9
Molecular Formula	C9H16S
Molecular Weight	156.29 g/mol
Synonyms	1-Thio-4-methyladamantane; 4-Methyl-2-thiaadamantane; 1-Mercapto-4-methyladamantane; 4-Methylbicyclo[2.2.2]octyl-1-thiol; 4-Methyl-1-adamantanethiol; 4-Methyltricyclo[3.3.1.1³,⁷]decane-1-thiol; 1-SH-4-Methyladamantane
EINECS	Contact for details

Quality Control

Our production of 4-Methylbicyclo[2.2.2]octane-1-thiol adheres to stringent internal quality standards to ensure batch-to-batch consistency and high purity. Every lot is characterized using advanced analytical techniques including GC, HPLC, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance protocols.

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 area. Recommended storage temperature is 2-8°C to minimize oxidation and prolong shelf life. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 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.