Description

2(1H)-Azetone, 1-Ethynyl-3-Isocyanato- (9Ci) CAS NO 528871-29-6 is a specialized heterocyclic building block containing both an isocyanate and an ethynyl functional group. This unique bifunctional structure makes it a valuable intermediate for synthesizing complex molecules, particularly in advanced material science and pharmaceutical research. It is primarily sought after by R&D chemists and process development scientists working on novel polymers, click chemistry applications, and targeted bioactive compounds.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, especially those requiring heterocyclic scaffolds with reactive handles for further functionalization.
• Polymer & Material Science: Used in the development of specialty polymers, such as polyurethanes and polyureas, where its dual functionality can introduce cross-linking points or novel side chains to modify material properties.
• Click Chemistry Reagent: The ethynyl group makes it a suitable participant in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, enabling the modular construction of complex architectures.
• Agrochemical Research: Employed in the design and synthesis of new active ingredients for crop protection, leveraging its reactive sites to build diverse molecular structures.
• Ligand & Catalyst Development: Acts as a building block for creating novel chelating ligands or organocatalysts with tailored electronic and steric properties.

Basic Information

Product Name	2(1H)-Azetone, 1-Ethynyl-3-Isocyanato- (9Ci)
CAS No.	528871-29-6
Molecular Formula	C6H3NO2
Molecular Weight	121.10 g/mol
Synonyms	1-Ethynyl-3-isocyanato-2(1H)-azetone; 1-Ethynyl-3-isocyanatoazetidin-2-one; 3-Isocyanato-1-ethynylazetidin-2-one; Azetidin-2-one, 1-ethynyl-3-isocyanato-; 1-Ethynyl-3-isocyanato-2-azetidinone; 528871-29-6; 2-Azetidinone, 1-ethynyl-3-isocyanato-
EINECS	Contact for details

Quality Control

Our 2(1H)-Azetone, 1-Ethynyl-3-Isocyanato- (9Ci) is produced under strict quality control protocols to ensure batch-to-batch consistency and high purity suitable for research and development. Each lot is analyzed using advanced techniques like HPLC, GC, and NMR to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, the container must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) to prevent degradation. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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