Description

tert-Butyl Pent-4-Ynoate is a specialized alkyne-containing ester building block used in advanced organic synthesis. This compound is valued for its role as a protected carboxylic acid derivative and its terminal alkyne functionality, which enables critical carbon-carbon bond-forming reactions. It is primarily sought by research and development chemists in the pharmaceutical, agrochemical, and material science industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring alkyne or protected carboxylate moieties.
• Agrochemical Synthesis: Used in the research and development of novel crop protection agents and herbicides.
• Material Science Research: Serves as a monomer or precursor in the development of specialty polymers and advanced functional materials.
• Click Chemistry: The terminal alkyne group makes it an ideal substrate for copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, a cornerstone of bioconjugation and labeling.
• Cross-Coupling Reactions: Utilized in Sonogashira, Glaser, and other palladium-catalyzed coupling reactions to form conjugated systems.
• Organic Synthesis Building Block: Employed in multi-step syntheses where the tert-butyl ester provides orthogonal protection that can be cleaved under mild acidic conditions.

Basic Information

Product Name	tert-Butyl Pent-4-Ynoate
CAS No.	185986-76-9
Molecular Formula	C9H14O2
Molecular Weight	154.21 g/mol
Synonyms	4-Pentynoic acid, 1,1-dimethylethyl ester; tert-Butyl 4-pentynoate; 1,1-Dimethylethyl pent-4-ynoate; Pent-4-ynoic acid tert-butyl ester; Butyl tert-pent-4-ynoate; t-Butyl pent-4-ynoate; tert-Butyl ester of 4-pentynoic acid
EINECS	Contact for details

Quality Control

Our tert-Butyl Pent-4-Ynoate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatography (GC/HPLC) and spectroscopy (NMR, IR), to ensure high purity and consistent performance. A Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is 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 room temperature (15-25°C). Keep away from strong oxidizing agents and heat sources. For long-term storage, consider maintaining under an inert atmosphere to preserve stability.

Specification

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