Description

1-Hexyl-4-(4-Isothiocyanatophenyl)-Bicyclo[2.2.2]Octane is a high-purity, functionalized bicyclic organic compound featuring a reactive isothiocyanate group. This specialized chemical serves as a critical building block and derivatization agent in advanced research and development, enabling the synthesis of novel materials and bioactive molecules. It is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors for applications requiring precise molecular conjugation.

Application

• Pharmaceutical Intermediate: Used in the synthesis of novel drug candidates and active pharmaceutical ingredients (APIs), particularly for creating thiourea-linked conjugates.
• Bioconjugation Reagent: Acts as a linker for attaching fluorescent probes, drugs, or other molecules to proteins, antibodies, or nanoparticles for diagnostic and therapeutic applications.
• Agrochemical Research: Serves as a key precursor in developing new pesticides and herbicides with targeted activity.
• Polymer Modification: Employed to functionalize polymers and resins, introducing reactive sites for further chemical grafting or to alter material properties.
• Ligand Synthesis for Catalysis: Used to create novel ligands for metal complexes in catalytic systems.
• Chemical Biology Probes: Facilitates the development of activity-based probes for studying enzyme function and biological pathways.

Basic Information

Product Name	1-Hexyl-4-(4-Isothiocyanatophenyl)-Bicyclo[2.2.2]Octane
CAS No.	121219-38-3
Molecular Formula	C21H29N2S
Molecular Weight	341.54 g/mol
Synonyms	4-(4-Isothiocyanatophenyl)-1-hexylbicyclo[2.2.2]octane; 1-Hexyl-4-(4-isothiocyanatophenyl)adamantane (common misnomer); Bicyclo[2.2.2]octane, 1-hexyl-4-(4-isothiocyanatophenyl)-; NSC 405124; 4-(p-Isothiocyanatophenyl)-1-hexylbicyclo[2.2.2]octane; Isothiocyanate-functionalized bicyclo[2.2.2]octane derivative; Hexyl-BCO-NCS
EINECS	Contact for details

Quality Control

Our 1-Hexyl-4-(4-Isothiocyanatophenyl)-Bicyclo[2.2.2]Octane is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity. Each lot is analyzed using advanced chromatographic and spectroscopic techniques. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Heavy Metals	≤ 10 ppm
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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