Description

2-Butyn-1-One, 1-(3,3-Dimethyl-2-Oxiranyl)- is a specialized organic compound featuring both an alkyne and an epoxide (oxirane) functional group within its molecular structure. This unique bifunctional nature makes it a valuable and versatile chemical building block for advanced organic synthesis. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries to construct complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring alkyne or epoxide coupling reactions.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and plant growth regulators.
• Fine Chemical Production: Acts as a versatile synthon for creating specialty chemicals, flavors, and fragrances.
• Material Science Research: Employed in the development of advanced polymers and resins through ring-opening polymerization of the epoxide group.
• Cross-Coupling Reactions: The alkyne moiety is suitable for Sonogashira and other metal-catalyzed cross-coupling reactions to form carbon-carbon bonds.
• Click Chemistry: Potential use as a substrate in Huisgen cycloaddition (click chemistry) reactions for bioconjugation and material labeling.

Basic Information

Product Name	2-Butyn-1-One, 1-(3,3-Dimethyl-2-Oxiranyl)-
CAS No.	860495-00-7
Molecular Formula	C8H10O2
Molecular Weight	138.16 g/mol
Synonyms	1-(3,3-Dimethyloxiran-2-yl)but-2-yn-1-one; 3,3-Dimethyl-2-oxiranyl 2-butyn-1-one; 1-(3,3-Dimethyl-2-oxiranyl)-2-butyn-1-one; 2-Butyn-1-one, 1-(3,3-dimethyl-2-oxiranyl)-; Propargyl Glycidyl Ketone derivative; Dimethylglycidyl Propiolate (related structure); Acetylenic epoxide intermediate
EINECS	Contact for details

Quality Control

Our 2-Butyn-1-One, 1-(3,3-Dimethyl-2-Oxiranyl)- is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and industrial synthesis. Certificates of Analysis (COA) detailing all specifications are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to the reactive epoxide and alkyne groups, it should be stored under an inert atmosphere if in opened containers for extended periods and kept separate from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	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.