Description

2-Thioxo-1,2,5,6,7,8,9,10-Octahydrocycloocta[B]Pyridin-3-Yl Cyanide is a high-value, complex heterocyclic building block featuring a fused cyclooctane-pyridine-thione-cyanide architecture. This compound matters as a critical synthetic intermediate for developing novel pharmacologically active molecules, particularly in medicinal chemistry and advanced materials research. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing sophisticated molecular scaffolds.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates targeting central nervous system (CNS) disorders, oncology, and anti-inflammatory pathways.
• Agrochemical Research: Used in the development of new-generation herbicides, fungicides, and insecticides with unique modes of action.
• Ligand Synthesis: Acts as a starting material for creating complex chelating ligands used in catalysis and metal-organic frameworks (MOFs).
• Material Science: Employed in the research of organic semiconductors and non-linear optical (NLO) materials due to its extended conjugated system potential.
• Chemical Biology Probes: Utilized to build molecular probes for studying enzyme inhibition and protein-ligand interactions.
• Academic & Institutional Research: A valuable compound for methodology development and exploring new chemical spaces in synthetic organic chemistry.

Basic Information

Product Name	2-Thioxo-1,2,5,6,7,8,9,10-Octahydrocycloocta[B]Pyridin-3-Yl Cyanide
CAS No.	154384-02-8
Molecular Formula	C13H14N2S
Molecular Weight	230.33 g/mol
Synonyms	3-Cyano-2-thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine; 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile; Octahydrocycloocta[b]pyridine-3-carbonitrile, 2-thioxo-; 154384-02-8; Cycloocta[b]pyridine-3-carbonitrile, 1,2,5,6,7,8,9,10-octahydro-2-thioxo-; 2-Thioxooctahydrocycloocta[b]pyridine-3-carbonitrile
EINECS	Contact for details

Quality Control

Our 2-Thioxo-1,2,5,6,7,8,9,10-Octahydrocycloocta[B]Pyridin-3-Yl Cyanide is manufactured under strict quality management systems. Each 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 critical specifications. Our quality commitment supports compliance with cGMP and ISO standards for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). This compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) to prevent degradation. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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