Description

2,5-Cyclohexadiene-1,4-Dione, 2-Ethynyl- (9Ci) is a specialized quinone derivative featuring an ethynyl substituent, which imparts unique reactivity for advanced synthetic applications. This compound serves as a critical building block in organic synthesis, enabling the construction of complex molecular architectures through its conjugated diketone system and alkyne functionality. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for developing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, particularly in developing quinone-based therapeutics and enzyme inhibitors.
• Agrochemical Research: Used in creating advanced active ingredients for crop protection products, leveraging its reactive structure for novel modes of action.
• Organic Electronic Materials: Serves as a precursor for developing conjugated polymers and small molecules for organic light-emitting diodes (OLEDs) and semiconductors.
• Cross-Coupling Reactions: The ethynyl group acts as a handle for Sonogashira and other palladium-catalyzed cross-coupling reactions to create extended π-systems.
• Ligand Synthesis: Utilized in the preparation of specialized ligands for catalysis and metal-organic frameworks (MOFs).
• Academic & Industrial R&D: A valuable reagent for methodological development in organic chemistry and exploring new reaction pathways.

Basic Information

Product Name	2,5-Cyclohexadiene-1,4-Dione, 2-Ethynyl- (9Ci)
CAS No.	89845-29-4
Molecular Formula	C8H4O2
Molecular Weight	132.12 g/mol
Synonyms	2-Ethynyl-1,4-benzoquinone; 2-Ethynyl-p-benzoquinone; 2-Ethynyl-2,5-cyclohexadiene-1,4-dione; 2-Ethynylquinone; Ethynylbenzoquinone; 1,4-Benzoquinone, 2-ethynyl-; 2-Ethynyl-1,4-cyclohexadienedione
EINECS	Contact for details

Quality Control

Our 2,5-Cyclohexadiene-1,4-Dione, 2-Ethynyl- (9Ci) is manufactured under strict quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We adhere to cGMP principles where applicable, and specifications can be aligned with customer-specific requirements for advanced synthetic work.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at a controlled room temperature (15-25°C) in a cool, dry, and well-ventilated place. Due to its sensitivity, keep away from oxidizing agents and strong bases.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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