Description

(E)-2,2,7,7-Tetramethyl-3-Octen-5-Yne is a high-purity, branched-chain alkyne-alkene compound with the CAS number 55976-12-0. This specialty chemical serves as a valuable advanced intermediate and building block in organic synthesis, prized for its unique sterically hindered structure. It is primarily utilized by R&D chemists and process development teams in the pharmaceutical, agrochemical, and material science sectors for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing novel active pharmaceutical ingredients (APIs), particularly in sterically demanding molecular frameworks.
• Agrochemical Synthesis: Used in the development of advanced crop protection agents and herbicides where specific branching patterns are required for bioactivity.
• Material Science Research: Acts as a monomer or precursor for specialty polymers, dendrimers, and advanced organic materials with tailored properties.
• Organic Synthesis Reagent: Employed in cross-coupling reactions, cycloadditions, and other catalytic transformations to introduce tetramethyl-substituted unsaturated units.
• Ligand and Catalyst Development: Serves as a backbone for creating novel, sterically hindered phosphine or N-heterocyclic carbene (NHC) ligands in catalysis.
• Flavor & Fragrance Industry: Potential intermediate for synthesizing complex terpenoid-like aroma molecules due to its branched hydrocarbon skeleton.

Basic Information

Product Name	(E)-2,2,7,7-Tetramethyl-3-Octen-5-Yne
CAS No.	55976-12-0
Molecular Formula	C12H20
Molecular Weight	164.29 g/mol
Synonyms	(E)-3,4-Di-tert-butylbut-3-en-1-yne; 2,2,7,7-Tetramethyl-3-octen-5-yne; 3-Octen-5-yne, 2,2,7,7-tetramethyl-, (3E)-; (E)-3,4-Di-tert-butyl-3-buten-1-yne; 3,4-Di-tert-butyl-3-buten-1-yne; (E)-Di-tert-butyl acetylene ethylene
EINECS	Contact for details

Quality Control

Our (E)-2,2,7,7-Tetramethyl-3-Octen-5-Yne is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing including GC, HPLC, and NMR to ensure high chemical purity and structural identity. Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are provided with every shipment to guarantee batch-to-batch consistency for your critical R&D and scale-up processes.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C to maximize stability. Keep away from heat, sparks, open flames, and 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%

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