Description

3,5-Diethynylbenzoic Acid Methyl Ester is a high-purity, multi-functional organic building block characterized by its two terminal alkyne groups and ester functionality. This compound matters for its versatility in advanced material synthesis and pharmaceutical research, serving as a critical precursor for constructing complex molecular architectures. It is primarily needed by R&D chemists and process engineers in the pharmaceutical, agrochemical, and specialty polymer industries for applications in click chemistry, cross-coupling reactions, and the development of novel conjugated materials.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the development of active pharmaceutical ingredients (APIs) via Sonogashira and other palladium-catalyzed cross-coupling reactions.
• Click Chemistry Reagent: The terminal alkyne groups enable efficient Huisgen 1,3-dipolar cycloaddition (copper-catalyzed azide-alkyne cycloaddition, CuAAC) for bioconjugation and polymer functionalization.
• Material Science Precursor: Used in the synthesis of metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and dendrimers due to its rigid, symmetrical structure.
• Polymer Chemistry: Acts as a monomer or cross-linking agent for producing high-performance, thermally stable polymers and resins with acetylene-based backbones.
• Agrochemical Research: Employed in the synthesis of novel herbicide and pesticide candidates that require a rigid, aromatic core with reactive handles.
• Ligand Synthesis: Useful for preparing sophisticated polydentate ligands for catalysis and metal ion sensing applications.

Basic Information

Product Name	3,5-Diethynylbenzoic Acid Methyl Ester
CAS No.	250288-94-9
Molecular Formula	C12H8O2
Molecular Weight	184.19 g/mol
Synonyms	Methyl 3,5-diethynylbenzoate; Benzoic acid, 3,5-diethynyl-, methyl ester; 3,5-Bis(ethynyl)benzoic acid methyl ester; Methyl 3,5-bis(ethynyl)benzoate; 3,5-Diethynyl methyl benzoate
EINECS	Contact for details

Quality Control

Our 3,5-Diethynylbenzoic Acid Methyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and batch-to-batch consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment. We adhere to cGMP guidelines where applicable to support our customers in regulated research and development.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at a controlled room temperature (15-25°C) in a cool, dry, and well-ventilated place. Due to its light-sensitive and easily oxidized nature, prolonged exposure to air and light should be avoided to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.