Description

2H-Azepin-2-One, 3-Ethynylhexahydro-3-Hydroxy- (9Ci) is a specialized heterocyclic organic compound featuring a seven-membered azepine ring core functionalized with both ethynyl and hydroxyl groups. This unique molecular architecture makes it a valuable and versatile building block for advanced chemical synthesis. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the construction of novel active molecules and complex intermediates.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in central nervous system (CNS) and metabolic disorder therapeutics.
• Agrochemical Synthesis: Serves as a precursor in the design and synthesis of novel herbicides, fungicides, and plant growth regulators with potential for enhanced efficacy.
• Organic Synthesis Building Block: Utilized in academic and industrial R&D for constructing complex nitrogen-containing heterocycles via click chemistry (using the ethynyl group) and other coupling reactions.
• Material Science Research: Investigated as a monomer or functional additive for creating specialized polymers with tailored thermal or mechanical properties.
• Catalyst Ligand Precursor: The functional groups can be modified to develop novel ligands for asymmetric catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	2H-Azepin-2-One, 3-Ethynylhexahydro-3-Hydroxy- (9Ci)
CAS No.	641144-53-8
Molecular Formula	C8H11NO2
Molecular Weight	153.18 g/mol
Synonyms	3-Ethynyl-3-hydroxyhexahydro-2H-azepin-2-one; 3-Hydroxy-3-ethynylazepan-2-one; Hexahydro-3-hydroxy-3-ethynyl-2H-azepin-2-one; 3-Ethynyl-3-hydroxyazepan-2-one; (3R/S)-3-Ethynyl-3-hydroxyazepan-2-one (racemic); Azepin-2-one derivative, 3-ethynyl-3-hydroxyhexahydro-; Building block 641144-53-8
EINECS	Contact for details

Quality Control

Our 2H-Azepin-2-One, 3-Ethynylhexahydro-3-Hydroxy- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, confirming compliance with agreed specifications. Our quality system supports development from research quantities to commercial scale under cGMP guidelines where required.

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 compound is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed and consideration should be given to storage under an inert atmosphere for long-term preservation of quality.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
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.