Description

4,4-Dimethyl-2-Pentyne is a high-purity, branched-chain alkyne building block of significant interest in advanced organic synthesis. Its unique structure, featuring a terminal alkyne group flanked by tertiary butyl substituents, makes it a valuable precursor for creating complex molecular architectures with tailored steric and electronic properties. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and specialty materials sectors, where it is used to develop novel active ingredients, ligands, and polymers.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the construction of complex drug molecules, particularly those requiring sterically hindered alkyne functionalities.
• Agrochemical Synthesis: Used in the research and development of new pesticides and herbicides, where its alkyne group enables click chemistry and other modular coupling strategies.
• Ligand & Catalyst Development: Acts as a precursor for sophisticated phosphine or N-heterocyclic carbene (NHC) ligands used in homogeneous catalysis.
• Material Science Research: Employed in the synthesis of specialty polymers, dendrimers, and metal-organic frameworks (MOFs) due to its rigid, branched structure.
• Organic Synthesis Building Block: Utilized in Sonogashira couplings, cycloadditions, and other carbon-carbon bond forming reactions to introduce tertiary-butyl-substituted alkyne units.
• Chemical Reference Standard: Supplied as a high-purity standard for analytical testing, method development, and quality control in chemical manufacturing.

Basic Information

Product Name	4,4-Dimethyl-2-Pentyne
CAS No.	999-78-0
Molecular Formula	C7H12
Molecular Weight	96.17 g/mol
Synonyms	tert-Butylacetylene; 3,3-Dimethyl-1-butyne; 1-tert-Butylacetylene; 2-Pentyne, 4,4-dimethyl-; tert-Butyl Ethyne; 3,3-Dimethylbut-1-yne; NSC 74149
EINECS	213-658-7

Quality Control

Our 4,4-Dimethyl-2-Pentyne is manufactured under stringent quality management systems. Every batch undergoes comprehensive analytical testing, including GC, GC-MS, and NMR, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, confirming compliance with agreed specifications. For customers with specific regulatory needs, we can support documentation for research and cGMP applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place away from heat, sparks, and open flames. Recommended storage temperature is 2-8°C (refrigerated) for long-term stability, as the compound is highly volatile and may be light-sensitive. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Density (at 20°C)	0.71 - 0.73 g/mL
Boiling Point	Approx. 38-40°C

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