Description

1H-Azepine, Hexahydro-1-(2,2,2-Trifluoro-1-Thioxoethyl)- (9Ci) is a specialized heterocyclic building block featuring a saturated azepine ring core functionalized with a trifluoroethanethione group. This compound matters as a high-value intermediate for advanced pharmaceutical and agrochemical research, offering a unique scaffold for the synthesis of novel bioactive molecules. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for constructing complex nitrogen-containing structures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in central nervous system (CNS) and metabolic disorder research.
• Agrochemical Research: Used in the development of new-generation herbicides, fungicides, and insecticides with potential for improved efficacy.
• Ligand Synthesis: Serves as a precursor for creating specialized ligands in catalysis and coordination chemistry.
• Material Science: Potential monomer or additive for advanced polymers and functional materials due to its nitrogen-rich, fluorinated structure.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying biological pathways and enzyme inhibition.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis projects requiring complex, fluorinated heterocycles.

Basic Information

Product Name	1H-Azepine, Hexahydro-1-(2,2,2-Trifluoro-1-Thioxoethyl)- (9Ci)
CAS No.	463313-03-3
Molecular Formula	C8H12F3NS
Molecular Weight	211.25 g/mol
Synonyms	1-(2,2,2-Trifluoro-1-thioxoethyl)hexahydro-1H-azepine; Hexahydro-1-(2,2,2-trifluoro-1-thioxoethyl)-1H-azepine; N-(Trifluoroethanethionyl)azepane; Azepane, 1-(2,2,2-trifluoro-1-thioxoethyl)-; 1-(Trifluoroacetylthio)azepane; 463313-03-3; 1H-Azepine, hexahydro-1-[(trifluoroacetyl)thio]-
EINECS	Contact for details

Quality Control

Our 1H-Azepine, Hexahydro-1-(2,2,2-Trifluoro-1-Thioxoethyl)- (9Ci) is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP and ISO standards for research and development materials.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This material is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for prolonged storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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