Description

(3,3-Dimethyl-But-1-Ynyl)-Benzene is a specialized aromatic alkyne building block of significant interest in advanced organic synthesis. Its unique structure, featuring a sterically hindered terminal alkyne attached to a benzene ring, makes it a valuable precursor for constructing complex molecular architectures. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries. It serves as a key intermediate for the synthesis of active pharmaceutical ingredients (APIs), functional materials, and novel ligands for catalysis.

Application

• Pharmaceutical Intermediate: A crucial building block for the synthesis of novel drug candidates and active pharmaceutical ingredients (APIs), particularly in creating complex carbon frameworks.
• Agrochemical Synthesis: Used in the research and development of new pesticides, herbicides, and plant growth regulators requiring specific aromatic-alkyne motifs.
• Material Science Research: Serves as a monomer or precursor in the development of advanced polymers, conductive materials, and metal-organic frameworks (MOFs).
• Catalyst Ligand Development: Employed to synthesize novel ligand systems for transition metal catalysis, including cross-coupling and polymerization catalysts.
• Organic Synthesis Building Block: Utilized in Sonogashira coupling, click chemistry, and other alkyne-based reactions to introduce the bulky 3,3-dimethylbut-1-ynyl group.
• Fine Chemical Production: Acts as a key intermediate in the multi-step synthesis of specialty dyes, fragrances, and other high-value fine chemicals.

Basic Information

Product Name	(3,3-Dimethyl-But-1-Ynyl)-Benzene
CAS No.	4250-82-2
Molecular Formula	C12H14
Molecular Weight	158.24 g/mol
Synonyms	1-(3,3-Dimethylbut-1-yn-1-yl)benzene; Benzene, (3,3-dimethyl-1-butyn-1-yl)-; 3,3-Dimethyl-1-phenyl-1-butyne; 1-Phenyl-3,3-dimethyl-1-butyne; tert-Butylphenylacetylene; (3,3-Dimethylbut-1-ynyl)benzene; Neopentylphenylacetylene
EINECS	Contact for details

Quality Control

Our (3,3-Dimethyl-But-1-Ynyl)-Benzene is produced under strict quality management protocols. Every batch undergoes comprehensive analytical testing, including GC, HPLC, and NMR, to ensure high chemical purity and identity confirmation. We provide a detailed Certificate of Analysis (COA) with each shipment, documenting purity, assay, and impurity profiles. Our quality systems are designed to meet the stringent requirements of research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, open flames, and oxidizing agents. For long-term storage, consider under an inert atmosphere such as nitrogen or argon to maintain stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 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.