Description

tert-Butyl 2-Butynoate is a specialized organic ester building block, recognized by CAS number 218457-99-9. This compound is valued for its role as a versatile synthon in advanced organic synthesis, offering a protected carboxylic acid derivative with an alkyne handle. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for introducing acetylene functional groups.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and plant growth regulators.
• Material Science Research: Serves as a monomer or precursor in the development of specialty polymers and advanced organic materials.
• Cross-Coupling Reactions: Utilized in Sonogashira, Heck, and other palladium-catalyzed cross-coupling reactions to form carbon-carbon bonds.
• Click Chemistry: The alkyne moiety makes it a suitable substrate for Huisgen cycloaddition (click chemistry) applications in bioconjugation and ligand discovery.
• Organic Synthesis Reagent: Employed as a protected form of 2-butynoic acid for peptide mimetics and other complex organic molecule constructions.

Basic Information

Product Name	tert-Butyl 2-Butynoate
CAS No.	218457-99-9
Molecular Formula	C8H12O2
Molecular Weight	140.18 g/mol
Synonyms	2-Butynoic acid tert-butyl ester; tert-Butyl but-2-ynoate; But-2-ynoic acid tert-butyl ester; t-Butyl 2-butynoate; t-Butyl but-2-ynoate; tert-Butyl acetylene carboxylate; 218457-99-9; tert-Butyl propiolate (common misnomer for related compounds)
EINECS	Contact for details

Quality Control

Our tert-Butyl 2-Butynoate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including chromatographic purity analysis and identity confirmation, to ensure it meets the high standards required for research and process chemistry. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong acids and incompatible materials such as strong oxidizing agents. 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.