Description

tert-Butyl 4-Ethynylbenzoate is a high-purity organic building block featuring both a benzoate ester and a terminal alkyne functional group. This unique bifunctional structure makes it a critical intermediate for synthesizing complex molecules via cross-coupling reactions like Sonogashira and click chemistry. It is essential for researchers and manufacturers in pharmaceutical development, advanced material science, and agrochemical R&D who require precise molecular scaffolds.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring conjugated aromatic-alkyne systems.
• Material Science: Monomer or precursor for creating advanced polymers, dendrimers, and metal-organic frameworks (MOFs) with tailored properties.
• Agrochemical Synthesis: Intermediate in the production of novel herbicides, fungicides, and plant growth regulators.
• Liquid Crystal & OLED Materials: Used in the development of organic semiconductors and electronic display materials due to its rigid, planar structure and conjugation potential.
• Bioconjugation & Probe Chemistry: The terminal alkyne group enables efficient labeling of biomolecules (proteins, nucleic acids) via copper-catalyzed azide-alkyne cycloaddition (CuAAC).
• Chemical Research & Development: A versatile reagent for academic and industrial research in organic synthesis and methodology development.

Basic Information

Product Name	tert-Butyl 4-Ethynylbenzoate
CAS No.	111291-97-5
Molecular Formula	C13H14O2
Molecular Weight	202.25 g/mol
Synonyms	4-(tert-Butoxycarbonyl)phenylacetylene; 4-Ethynylbenzoic Acid tert-Butyl Ester; Benzoic acid, 4-ethynyl-, 1,1-dimethylethyl ester; tert-Butyl p-ethynylbenzoate; 1,1-Dimethylethyl 4-ethynylbenzoate; 4-(1,1-Dimethylethoxycarbonyl)phenylacetylene
EINECS	Contact for details

Quality Control

Our tert-Butyl 4-Ethynylbenzoate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and FTIR, to ensure identity, purity, and consistency. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment. We support cGMP compliance for pharmaceutical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). The compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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