Description

2,7-Diazabicyclo[2.2.1]Heptane-3-Thione(9Ci) is a specialized bicyclic thiourea derivative with a constrained molecular architecture. This compound is valued for its unique structural motif, which serves as a versatile building block and ligand in advanced synthetic chemistry and materials science. It is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and specialty chemical industries for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor or scaffold in the synthesis of novel drug candidates, particularly those targeting neurological or metabolic pathways.
• Catalyst Ligand: Acts as a ligand for transition metal catalysts in asymmetric synthesis and cross-coupling reactions, enhancing selectivity and yield.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and plant growth regulators due to its bioactive heterocyclic core.
• Material Science: Employed in the creation of organic semiconductors, metal-organic frameworks (MOFs), and other advanced polymeric materials.
• Chemical Biology Probe: Utilized as a molecular tool to study enzyme inhibition and protein-ligand interactions in biochemical research.
• Custom Synthesis & Scale-up: Provided for contract research organizations (CROs) and chemical manufacturers for custom synthesis projects from milligram to kilogram scale.

Basic Information

Product Name	2,7-Diazabicyclo[2.2.1]Heptane-3-Thione(9Ci)
CAS No.	653603-12-4
Molecular Formula	C5H8N2S
Molecular Weight	128.19 g/mol
Synonyms	2,7-Diazabicyclo[2.2.1]heptane-3-thione; 3-Thioxo-2,7-diazabicyclo[2.2.1]heptane; Bicyclo[2.2.1]heptane-3-thione, 2,7-diaza-; 2,7-Diazabicyclo[2.2.1]heptane-3-thione (9CI); 653603-12-4; 2,7-Diaza-3-thiabicyclo[2.2.1]heptane-3-thione (tautomer)
EINECS	Contact for details

Quality Control

Our 2,7-Diazabicyclo[2.2.1]Heptane-3-Thione(9Ci) is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all relevant specifications. Our quality commitment supports applications requiring high-purity research and development materials.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents. For long-term storage, consider an inert atmosphere to maximize stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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