Description

tert-Butyl 4-Ethynylbicyclo[2.2.2]octan-1-ylcarbamate is a high-purity, advanced pharmaceutical intermediate featuring a rigid bicyclic scaffold and a reactive ethynyl group. This compound is specifically engineered for use in medicinal chemistry and drug discovery, enabling the synthesis of novel, conformationally constrained active pharmaceutical ingredients (APIs). It is primarily utilized by research institutions and pharmaceutical companies focused on developing new therapeutics, particularly in areas requiring complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, especially those targeting the central nervous system (CNS) and other therapeutic areas.
• Medicinal Chemistry Research: Used in hit-to-lead and lead optimization campaigns to introduce rigid, three-dimensional structural elements into molecules, improving binding affinity and metabolic stability.
• Proteolysis Targeting Chimera (PROTAC) Development: Serves as a versatile linker component due to its ethynyl group, which can be used in "click chemistry" reactions to conjugate warheads and E3 ligase ligands.
• Chemical Biology Probes: Employed in the creation of molecular probes for studying protein function and biological pathways via bioorthogonal conjugation strategies.
• Material Science Precursor: Acts as a monomer or cross-linking agent for synthesizing specialized polymers with unique thermal and mechanical properties.

Basic Information

Product Name	tert-Butyl 4-Ethynylbicyclo[2.2.2]octan-1-ylcarbamate
CAS No.	1417551-40-6
Molecular Formula	C15H23NO2
Molecular Weight	249.35 g/mol
Synonyms	1-Boc-4-ethynylbicyclo[2.2.2]octane; 4-Ethynylbicyclo[2.2.2]octan-1-amine, N-BOC-; tert-Butyl (4-ethynylbicyclo[2.2.2]octan-1-yl)carbamate; Bicyclo[2.2.2]octan-1-amine, 4-ethynyl-, 1-(1,1-dimethylethyl) carbamate; N-Boc-4-ethynyl-1-aminobicyclo[2.2.2]octane; 1-N-Boc-amino-4-ethynylbicyclo[2.2.2]octane
EINECS	Contact for details

Quality Control

Our tert-Butyl 4-Ethynylbicyclo[2.2.2]octan-1-ylcarbamate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specifications and test results to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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