Description

1-Ethynyl-3,5-Ditert-Butylbenzene is a specialized aromatic compound featuring a terminal alkyne group and sterically hindered tert-butyl substituents. This unique molecular architecture makes it a valuable high-purity building block for advanced organic synthesis and materials science research. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty polymer industries for constructing complex molecular frameworks.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the development of novel active pharmaceutical ingredients (APIs), particularly for creating sterically hindered aromatic systems.
• Agrochemical Research: Used in the synthesis of experimental herbicides, fungicides, and plant growth regulators that benefit from its bulky, lipophilic character.
• Ligand & Catalyst Precursor: The ethynyl group acts as a handle for constructing sophisticated ligands for transition metal catalysis or as a precursor to metal-acetylide complexes.
• Advanced Material Monomer: Employed in the research and development of specialty polymers, dendrimers, and organic electronic materials where its structure can influence thermal stability and electronic properties.
• Cross-Coupling Reactions: An essential substrate for Sonogashira, Glaser, and other palladium-catalyzed cross-coupling reactions to form conjugated systems.
• Chemical Synthesis Building Block: Provides a versatile starting point for synthesizing more complex, multi-functional aromatic compounds in academic and industrial laboratories.

Basic Information

Product Name	1-Ethynyl-3,5-Ditert-Butylbenzene
CAS No.	36720-94-2
Molecular Formula	C₁₆H₂₂
Molecular Weight	214.35 g/mol
Synonyms	3,5-Di-tert-butylphenylacetylene; 1-Ethynyl-3,5-bis(1,1-dimethylethyl)benzene; 3,5-Di-tert-butylphenylacetylene; 3,5-Bis(tert-butyl)phenylacetylene; 3,5-Di-tert-butyl-1-ethynylbenzene; 3,5-Di-t-butylphenylacetylene; DTBP acetylene
EINECS	Contact for details

Quality Control

Our production of 1-Ethynyl-3,5-Ditert-Butylbenzene adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for sensitive synthetic applications. Each lot is characterized by modern analytical techniques including GC, HPLC, and NMR to confirm identity and purity. Certificates of Analysis (COA) detailing all relevant specifications are provided with every shipment and 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). Due to its sensitivity to oxidation, it is recommended to store under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0%
Melting Point	Contact for details

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