Description

1-(tert-Butyl)-3-Ethynylbenzene is a specialized aromatic compound featuring a tert-butyl group and an ethynyl (acetylene) functional group on a benzene ring. This unique structure makes it a valuable high-purity intermediate for advanced organic synthesis, particularly in the development of complex molecular architectures. It is primarily utilized by pharmaceutical researchers and agrochemical developers seeking to build novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), especially for candidates requiring rigid, three-dimensional aromatic cores.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and plant growth regulators.
• Material Science Research: Serves as a monomer or precursor in the development of advanced polymers, dendrimers, and metal-organic frameworks (MOFs).
• Ligand and Catalyst Development: The ethynyl group is instrumental for creating novel ligands for transition metal catalysis and organometallic chemistry.
• Organic Electronic Materials: Investigated as a component in the synthesis of organic semiconductors and conductive polymers.
• Cross-coupling Reactions: An excellent substrate for Sonogashira, Heck, and other palladium-catalyzed cross-coupling reactions to form complex conjugated systems.

Basic Information

Item	Detail
Product Name	1-(tert-Butyl)-3-Ethynylbenzene
CAS No.	135883-34-0
Molecular Formula	C12H14
Molecular Weight	158.24 g/mol
Synonyms	3-Ethynyl-1-tert-butylbenzene; 1-tert-Butyl-3-ethynylbenzene; 3-(tert-Butyl)phenylacetylene; m-(tert-Butyl)phenylacetylene; 1-(1,1-Dimethylethyl)-3-ethynylbenzene; 3-tert-Butylphenylacetylene; m-tert-Butylphenylacetylene
EINECS	Contact for details

Quality Control

Our 1-(tert-Butyl)-3-Ethynylbenzene is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity and GC-MS for identity confirmation, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at 2-8°C to minimize oxidation and degradation. Keep away from strong acids and oxidizing agents. The container should be kept in a cool, dry, and well-ventilated area.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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