Description

tert-Butyl 3-Ethynylbenzoate is a high-purity, synthetically valuable organic building block characterized by its aromatic benzoate ester core and terminal alkyne functional group. This compound matters as a versatile intermediate, enabling the construction of complex molecular architectures through robust coupling reactions like the Sonogashira reaction. It is primarily needed by research chemists and process development scientists in the pharmaceutical and advanced materials sectors for synthesizing active pharmaceutical ingredients (APIs), ligands, and functional polymers.

Application

• Pharmaceutical Intermediate: A key synthon for constructing drug candidates, particularly those requiring conjugated aromatic-alkyne systems common in kinase inhibitors and oncology therapeutics.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of novel polymers, dendrimers, and metal-organic frameworks (MOFs) with tailored electronic or structural properties.
• Chemical Synthesis: Utilized in palladium-catalyzed cross-coupling reactions (e.g., Sonogashira, Click Chemistry) to introduce the 3-ethynylbenzoate moiety into more complex molecules.
• Agrochemical Development: Employed in the research and synthesis of novel crop protection agents and herbicides.
• Ligand Synthesis: Used to prepare specialized ligands for catalysis and coordination chemistry.

Basic Information

Product Name	tert-Butyl 3-Ethynylbenzoate
CAS No.	914943-91-2
Molecular Formula	C13H14O2
Molecular Weight	202.25 g/mol
Synonyms	3-(tert-Butoxycarbonyl)phenylacetylene; Benzoic acid, 3-ethynyl-, 1,1-dimethylethyl ester; 1,1-Dimethylethyl 3-ethynylbenzoate; tert-Butyl m-ethynylbenzoate; 3-Ethynylbenzoic acid tert-butyl ester; TBEB; 3-(tert-Butyloxycarbonyl)phenylacetylene
EINECS	Contact for details

Quality Control

Our tert-Butyl 3-Ethynylbenzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and identity confirmation. Certificates of Analysis (COA) with detailed specifications are provided for every shipment to guarantee traceability and batch-to-batch consistency, meeting the stringent requirements of research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep away from heat, sparks, and open flames. Due to its sensitivity, minimize exposure to air and moisture during handling.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
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.