Description

Methyl 3-Ethynylbicyclo[1.1.1]pentane-1-carboxylate is a high-value, synthetically versatile bicyclic building block featuring a strained [1.1.1]propellane core. This compound matters for its unique three-dimensional structure and reactive ethynyl group, which enable efficient construction of complex molecular architectures in medicinal chemistry and materials science. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for lead optimization and the synthesis of novel bioactive compounds.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of drug candidates, particularly for creating sp3-rich, three-dimensional scaffolds to improve drug-like properties.
• Medicinal Chemistry Research: Used in fragment-based drug discovery and for introducing rigid, strained bicyclic motifs into target molecules.
• Agrochemical Synthesis: Building block for developing novel pesticides and herbicides with unique modes of action.
• Materials Science: Monomer or cross-linker for advanced polymers and functional materials requiring rigid, alkyne-functionalized components.
• Chemical Biology Probes: Utilized in click chemistry (e.g., CuAAC) applications to create bioconjugates or labeled probes for target identification.
• Academic & Industrial R&D: Fundamental reagent for methodological development in organic synthesis, exploring new reactions involving strained systems.

Basic Information

Product Name	Methyl 3-Ethynylbicyclo[1.1.1]pentane-1-carboxylate
CAS No.	1955554-75-2
Molecular Formula	C9H10O2
Molecular Weight	150.18 g/mol
Synonyms	Methyl 3-ethynylbicyclo[1.1.1]pentane-1-carboxylate; 3-Ethynylbicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; Methyl 3-ethynyl-1-bicyclo[1.1.1]pentanecarboxylate; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-ethynyl-, methyl ester; 1-(Methoxycarbonyl)bicyclo[1.1.1]pentane-3-ethyne
EINECS	Contact for details

Quality Control

Our Methyl 3-Ethynylbicyclo[1.1.1]pentane-1-carboxylate is produced under strict quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. Certificates of Analysis (COA) with detailed specifications are provided for each lot to support your research and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from strong acids and incompatible organic solvents. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95% (Typical 97-99%)
Water Content (KF)	≤ 0.5%

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