Description

tert-Butyl 4-(2-(Trimethylsilyl)Ethynyl)Benzoate is a high-value, protected benzoate derivative featuring both a tert-butyl ester and a trimethylsilyl-protected ethynyl group, making it a versatile and stable synthetic intermediate. This compound matters for its role in facilitating complex organic syntheses, particularly in constructing advanced molecular architectures where selective deprotection and further functionalization are required. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries for applications in medicinal chemistry and specialty polymer synthesis.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), especially for candidates containing aromatic and alkyne functionalities.
• 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, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The protected ethynyl group is ideal for Sonogashira and other palladium-catalyzed cross-coupling reactions to form conjugated systems.
• Academic & Industrial R&D: A valuable reagent for methodological development in organic synthesis and catalysis studies.
• Ligand and Catalyst Preparation: Used to synthesize complex ligands for asymmetric catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	tert-Butyl 4-(2-(Trimethylsilyl)Ethynyl)Benzoate
CAS No.	111291-96-4
Molecular Formula	C₁₆H₂₂O₂Si
Molecular Weight	274.43 g/mol
Synonyms	4-[(Trimethylsilyl)ethynyl]benzoic acid tert-butyl ester; Benzoic acid, 4-[2-(trimethylsilyl)ethynyl]-, 1,1-dimethylethyl ester; tert-Butyl 4-((trimethylsilyl)ethynyl)benzoate; 4-(2-Trimethylsilylethynyl)benzoic acid tert-butyl ester; 1,1-Dimethylethyl 4-[2-(trimethylsilyl)ethynyl]benzoate; TBS-protected 4-ethynylbenzoic acid tert-butyl ester; tert-Butyl 4-(trimethylsilylethynyl)benzoate
EINECS	Contact for details

Quality Control

Our tert-Butyl 4-(2-(Trimethylsilyl)Ethynyl)Benzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and FTIR, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your most demanding synthesis applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥97.0%
Purity (GC)	≥96.0%
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.