Description

(1α,4α)-5β-(Phenylthio)Bicyclo[2.1.1]Hexane CAS NO 67132-83-6 is a specialized bicyclic organic compound featuring a phenylthio functional group, serving as a valuable synthetic intermediate. Its unique sterically constrained structure makes it a critical building block for advanced organic synthesis, particularly in the development of novel pharmacophores and functional materials. This compound is essential for research and development chemists in the pharmaceutical, agrochemical, and advanced materials sectors seeking to create complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in programs targeting central nervous system (CNS) disorders or anti-inflammatory agents.
• Agrochemical Synthesis: Used in the synthesis of novel herbicides, fungicides, or plant growth regulators, leveraging its bicyclic core for enhanced biological activity and environmental stability.
• Ligand & Catalyst Development: Serves as a precursor for creating specialized ligands in asymmetric catalysis or as a scaffold for organocatalysts, crucial for efficient and selective chemical manufacturing.
• Advanced Material Research: Employed in the synthesis of monomers or additives for high-performance polymers, liquid crystals, or organic electronic materials due to its rigid molecular geometry.
• Chemical Biology Probe: Utilized as a core structure for developing molecular probes to study enzyme mechanisms or protein-ligand interactions in biochemical research.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the fine chemical industry.

Basic Information

Product Name	(1α,4α)-5β-(Phenylthio)Bicyclo[2.1.1]Hexane
CAS No.	67132-83-6
Molecular Formula	C13H14S
Molecular Weight	202.31 g/mol
Synonyms	(1α,4α)-5β-(Phenylthio)bicyclo[2.1.1]hexane; 5β-(Phenylthio)bicyclo[2.1.1]hexane, (1α,4α)-; Bicyclo[2.1.1]hexane, 5-(phenylthio)-, (1α,4α,5β)-; (1α,4α,5β)-5-(Phenylthio)bicyclo[2.1.1]hexane; 5-(Phenylthio)bicyclo[2.1.1]hexane; 67132-83-6; Phenylthio bicyclohexane derivative
EINECS	Contact for details

Quality Control

Our (1α,4α)-5β-(Phenylthio)Bicyclo[2.1.1]Hexane is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and structural identity. Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are provided with every shipment to support your R&D and scale-up activities.

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 or as specified on the label or COA. This compound is easily oxidized; prolonged exposure to air should be avoided. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Assay	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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