Description

3-Butyn-2-One, 4-(6-Oxabicyclo[3.1.0]Hex-1-Yl)- is a high-value, advanced pharmaceutical intermediate featuring a unique oxabicyclo[3.1.0]hexane scaffold fused with a reactive butynone moiety. This compound matters as a critical building block for the synthesis of complex molecules, particularly in medicinal chemistry for developing novel therapeutic agents. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for creating new active ingredients with potential biological activity. The CAS number for this compound is 959019-88-6.

Application

• Pharmaceutical Intermediate: A key synthon for the research and development of new drug candidates, particularly those targeting central nervous system (CNS) disorders or requiring complex bicyclic architectures.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to explore new chemical space and biological targets.
• Agrochemical Synthesis: Serves as a precursor for novel active ingredients in crop protection products, leveraging its reactive alkyne and ketone functionalities.
• Chemical Biology Probes: Utilized in the development of molecular probes and tools for studying biological pathways and enzyme functions.
• Academic & Institutional R&D: Employed in university and research institute laboratories for methodological studies in organic synthesis and heterocyclic chemistry.
• Custom Synthesis & Contract Manufacturing: A starting material for custom synthesis projects and scale-up campaigns under cGMP or research-grade conditions.

Basic Information

Product Name	3-Butyn-2-One, 4-(6-Oxabicyclo[3.1.0]Hex-1-Yl)-
CAS No.	959019-88-6
Molecular Formula	C9H10O2
Molecular Weight	150.17 g/mol
Synonyms	4-(6-Oxabicyclo[3.1.0]hex-1-yl)but-3-yn-2-one; 1-(6-Oxabicyclo[3.1.0]hex-1-yl)-3-butyn-2-one; 4-(6-Oxabicyclo[3.1.0]hex-1-yl)-3-butyn-2-one; Oxabicyclohexyl Butynone; Bicyclic Oxirane Alkyne Ketone; 959019-88-6; (Oxirano[2,3-c]pyran)-based intermediate
EINECS	Contact for details

Quality Control

Our 3-Butyn-2-One, 4-(6-Oxabicyclo[3.1.0]Hex-1-Yl)- is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our quality commitment supports research and development requiring high-purity, well-characterized advanced intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). This compound is light-sensitive (store away from light) and may be hygroscopic (moisture-sensitive). Keep container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) if necessary to prevent degradation. Store away from incompatible materials such as strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white solid or crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5%
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.