Description

Bicyclo[2.1.1]Hexane-1-Methanol, -α-,5,5-Trimethyl-, (-α-R,1S,4S)-Rel- (9Ci) is a high-purity, stereochemically defined bicyclic building block of significant interest in advanced organic synthesis. Its rigid, three-dimensional structure and functional handle make it a valuable scaffold for constructing complex molecules with tailored properties. This compound is primarily sought after by researchers and process chemists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry, asymmetric synthesis, and the development of novel materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) and antiviral targets.
• Agrochemical Synthesis: Used in the creation of novel, high-performance pesticides and herbicides where its unique steric profile can enhance biological activity and environmental stability.
• Ligand and Catalyst Development: Serves as a precursor for sophisticated chiral ligands and organocatalysts used in asymmetric transformations.
• Material Science Research: Employed in the synthesis of specialty polymers and advanced organic frameworks (e.g., MOFs, COFs) to impart specific rigidity and functionality.
• Academic & R&D: A valuable tool for methodological studies in organic chemistry, exploring new cycloaddition and functionalization reactions.
• Flavor & Fragrance Chemistry: Potential use as an intermediate for synthesizing novel odorants and flavor compounds with complex, non-linear structures.

Basic Information

Product Name	Bicyclo[2.1.1]Hexane-1-Methanol, -α-,5,5-Trimethyl-, (-α-R,1S,4S)-Rel- (9Ci)
CAS No.	404825-39-4
Molecular Formula	C10H18O
Molecular Weight	154.25 g/mol
Synonyms	(1S,4S)-rel-5,5-Dimethyl-2-(hydroxymethyl)bicyclo[2.1.1]hexane; rel-(1R,2S,4S)-2-(Hydroxymethyl)-5,5-dimethylbicyclo[2.1.1]hexane; 5,5-Dimethyl-2-(hydroxymethyl)bicyclo[2.1.1]hexane; Bicyclo[2.1.1]hexane-1-methanol, α,5,5-trimethyl-, (αR,1S,4S)-rel-; Trimethylbicyclohexanemethanol; Bicyclo[2.1.1]hexane methanol derivative; CAS 404825-39-4.
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced and analyzed under strict quality management protocols. We provide comprehensive Certificates of Analysis (COA) detailing purity, enantiomeric excess, and impurity profiles, typically determined by GC, HPLC, and chiral HPLC methods. Our quality systems are designed to support cGMP and ISO standards for traceability and consistency, ensuring reliable performance in your critical synthetic pathways.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry place at 2-8°C for long-term stability. This compound is hygroscopic (moisture-sensitive) and easily oxidized; therefore, containers must be sealed immediately after use to minimize exposure to air and moisture. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%

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