Description

3-Ethynylbenzoic Acid Ethyl Ester is a versatile aromatic alkyne derivative that serves as a critical building block in advanced organic synthesis. Its value lies in the dual functionality of the ethynyl and ester groups, enabling efficient cross-coupling reactions and subsequent functional group transformations. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules containing substituted benzoic acid scaffolds.
• Agrochemical Synthesis: Building block for developing novel herbicides, fungicides, and plant growth regulators that require specific aromatic-alkyne motifs.
• Material Science Research: Monomer or cross-linking agent in the development of specialty polymers, dendrimers, and organic electronic materials.
• Chemical Biology Probes: Used in click chemistry applications (e.g., CuAAC, SPAAC) for bioconjugation and labeling of biomolecules due to its terminal alkyne group.
• Liquid Crystal & OLED Materials: Intermediate for synthesizing conjugated organic molecules used in display and lighting technologies.
• Academic & Industrial R&D: Fundamental reagent for methodological development in organic chemistry, including Sonogashira and other palladium-catalyzed couplings.

Basic Information

Item	Details
Product Name	3-Ethynylbenzoic Acid Ethyl Ester
CAS No.	178742-95-5
Molecular Formula	C11H10O2
Molecular Weight	174.20 g/mol
Synonyms	Ethyl 3-Ethynylbenzoate; 3-Ethynyl Benzoic Acid Ethyl Ester; Benzoic acid, 3-ethynyl-, ethyl ester; Ethyl m-Ethynylbenzoate; 3-Carbethoxyphenylacetylene; m-Ethynylbenzoic Acid Ethyl Ester; Ethyl 3-(Ethynyl)benzoate
EINECS	Contact for details

Quality Control

Our 3-Ethynylbenzoic Acid Ethyl Ester is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and consistent performance. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing identity, assay, and impurity profiles to support your quality and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. The compound is light-sensitive (store away from light).

Specification

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