Description

2H-Azepin-2-One, 3-Amino-1-Cyanohexahydro-, (3S)- (9Ci) is a high-purity, stereochemically defined heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its role as a key chiral intermediate, enabling the construction of complex molecular architectures with precise three-dimensional control. Pharmaceutical and agrochemical research organizations need it for the development of novel active ingredients, particularly in the creation of nitrogen-containing bioactive molecules.

Application

• Pharmaceutical Intermediate: A critical chiral synthon for the research and development of new drug candidates, particularly in classes like protease inhibitors or neurological agents.
• Agrochemical Synthesis: Used in the creation of advanced, enantiomerically pure pesticides and herbicides with improved efficacy and environmental profiles.
• Chemical Biology & Proteomics: Serves as a scaffold or functional handle in the design of molecular probes, activity-based probes (ABPs), and enzyme inhibitors for target validation studies.
• Asymmetric Catalysis Research: Employed as a substrate or ligand precursor in the development and testing of new chiral catalysts and synthetic methodologies.
• Peptidomimetic Design: Its structure, containing both amino and cyano functionalities on a seven-membered lactam ring, makes it valuable for constructing conformationally constrained peptide analogs.
• Material Science Research: Potential monomer or precursor for specialty polymers with unique thermal or mechanical properties derived from its rigid, functionalized azepinone core.

Basic Information

Item	Details
Product Name	2H-Azepin-2-One, 3-Amino-1-Cyanohexahydro-, (3S)- (9Ci)
CAS No.	643047-05-6
Molecular Formula	C7H11N3O
Molecular Weight	153.18 g/mol
Synonyms	(3S)-3-Amino-1-cyanohexahydro-2H-azepin-2-one; (3S)-3-Amino-1-cyanoazepan-2-one; 3-Amino-1-cyanohexahydro-2H-azepin-2-one, (3S)-; 1-Cyano-3-aminohexahydro-2H-azepin-2-one, (3S)-; (S)-3-Amino-1-cyanoazepan-2-one; 643047-05-6; Azepin-2-one derivative, 3-amino-1-cyanohexahydro-, (3S)-; Chiral 3-aminoazepan-2-one derivative
EINECS	Contact for details

Quality Control

Our production of 2H-Azepin-2-One, 3-Amino-1-Cyanohexahydro-, (3S)- (9Ci) adheres to stringent quality protocols suitable for advanced R&D and cGMP starting material applications. Each batch undergoes rigorous analytical testing to ensure identity, purity, and enantiomeric excess meet exacting specifications. A comprehensive Certificate of Analysis (COA) is provided with every shipment, detailing results from HPLC, chiral analysis, NMR, and other relevant tests to guarantee batch-to-batch consistency and traceability.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under dry conditions to prevent degradation. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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