Description

2(1H)-Pyrimidinone, 5-Ethynyl- (9Ci) is a specialized heterocyclic building block featuring a pyrimidinone core with a reactive ethynyl substituent. This compound is of significant value in advanced organic synthesis, particularly for click chemistry and cross-coupling reactions, enabling the construction of complex molecular architectures. It is primarily utilized by research institutions and pharmaceutical companies engaged in medicinal chemistry, agrochemical development, and materials science for creating novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in kinase inhibitor and antiviral research.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides with specific biological activity.
• Click Chemistry Reagent: The ethynyl group enables efficient Huisgen 1,3-dipolar cycloaddition reactions for bioconjugation and polymer functionalization.
• Material Science Research: Serves as a building block for organic semiconductors, metal-organic frameworks (MOFs), and other functional materials.
• Cross-Coupling Reactions: Acts as a substrate in Sonogashira, Heck, and other palladium-catalyzed coupling reactions to form carbon-carbon bonds.
• Chemical Biology Probes: Utilized in the synthesis of molecular probes for studying biological processes and target identification.

Basic Information

Product Name	2(1H)-Pyrimidinone, 5-Ethynyl- (9Ci)
CAS No.	156991-81-0
Molecular Formula	C6H4N2O
Molecular Weight	120.11 g/mol
Synonyms	5-Ethynyl-2(1H)-pyrimidinone; 5-Ethynylpyrimidin-2(1H)-one; 5-Ethynyl-1H-pyrimidin-2-one; 5-Ethynyl-2-hydroxypyrimidine; 2-Hydroxy-5-ethynylpyrimidine; 156991-81-0; 5-Ethynyl-1,2-dihydropyrimidin-2-one
EINECS	Contact for details

Quality Control

Our 2(1H)-Pyrimidinone, 5-Ethynyl- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, confirming compliance with customer specifications and relevant research-grade standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). The compound may be hygroscopic; keep the container tightly sealed under an inert atmosphere for long-term storage to maintain stability.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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