Description

tert-Butyl Hex-5-Ynoate is a valuable alkyne-containing ester building block used in advanced organic synthesis. This compound matters for its role as a protected carboxylic acid derivative, offering a versatile handle for constructing complex molecular architectures. It is primarily needed by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for applications such as click chemistry, cross-coupling reactions, and polymer synthesis.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the synthesis of active pharmaceutical ingredients (APIs) and complex drug candidates.
• Agrochemical Synthesis: Used in the research and development of novel pesticides, herbicides, and plant growth regulators.
• Material Science & Polymer Chemistry: Acts as a functional monomer or cross-linking agent for creating specialty polymers and advanced materials.
• Click Chemistry Reagent: The terminal alkyne group enables efficient Huisgen cycloaddition (copper-catalyzed azide-alkyne cycloaddition) for bioconjugation and material labeling.
• Organic Synthesis Building Block: Utilized in Sonogashira coupling and other palladium-catalyzed cross-coupling reactions to form new carbon-carbon bonds.
• Ligand & Catalyst Development: Employed in the preparation of novel ligands and organometallic catalysts for asymmetric synthesis.

Basic Information

Product Name	tert-Butyl Hex-5-Ynoate
CAS No.	73448-14-3
Molecular Formula	C₁₀H₁₆O₂
Molecular Weight	168.23 g/mol
Synonyms	5-Hexynoic acid tert-butyl ester; tert-Butyl 5-hexynoate; Hex-5-ynoic acid tert-butyl ester; tert-Butyl pent-4-yn-1-carboxylate; 1,1-Dimethylethyl hex-5-ynoate; t-Butyl hex-5-ynoate; Butyl hex-5-ynoate, tert-; tert-Butyl ester of 5-hexynoic acid
EINECS	Contact for details

Quality Control

Our tert-Butyl Hex-5-Ynoate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including GC, HPLC, and NMR, to ensure high purity and consistency. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage, consider storing under an inert atmosphere to maintain optimal 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.