Description

4H-1,3-Benzodioxin,5-Ethynyl-2,2-Dimethyl-(9Ci) is a specialized organic compound featuring a benzodioxin core structure functionalized with an ethynyl group, making it a valuable synthetic intermediate. This compound matters for its role in facilitating complex molecular construction, particularly in the development of novel chemical entities. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and advanced material synthesis.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of potential drug candidates, especially those targeting central nervous system disorders.
• Agrochemical Research: Used in the development of new active ingredients for crop protection products, leveraging its unique heterocyclic structure.
• Material Science: Acts as a precursor for functionalized polymers or organic electronic materials due to the reactive ethynyl moiety.
• Chemical Synthesis: Employed in cross-coupling reactions (e.g., Sonogashira coupling) to create complex, conjugated molecular architectures.
• Academic & R&D: Utilized in university and corporate research laboratories for methodological studies and exploring new chemical spaces.
• Ligand & Catalyst Development: The structural motif can be incorporated into novel ligands for catalysis or molecular recognition applications.

Basic Information

Product Name	4H-1,3-Benzodioxin,5-Ethynyl-2,2-Dimethyl-(9Ci)
CAS No.	869550-79-8
Molecular Formula	C12H12O2
Molecular Weight	188.22 g/mol
Synonyms	5-Ethynyl-2,2-dimethyl-4H-1,3-benzodioxin; 2,2-Dimethyl-5-ethynyl-4H-1,3-benzodioxin; 4H-1,3-Benzodioxin, 5-ethynyl-2,2-dimethyl-; 869550-79-8; 5-Ethynyl-2,2-dimethyl-1,3-benzodioxin
EINECS	Contact for details

Quality Control

Our 4H-1,3-Benzodioxin,5-Ethynyl-2,2-Dimethyl-(9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory compliance needs.

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 flames. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Residue on Ignition	≤ 0.1%
Heavy Metals	< 10 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.