Description

Bicyclo[1.1.1]pentane, 1-chloro-3-ethynyl- (9Ci) is a highly functionalized, strained organic building block featuring a unique bicyclic cage structure with reactive chloro and ethynyl substituents. This compound is valued for its role as a key intermediate in advanced organic synthesis, enabling the construction of complex molecular architectures with precise three-dimensional control. It is primarily sought by researchers and process chemists in the pharmaceutical, agrochemical, and materials science industries for applications in drug discovery, ligand development, and the creation of novel polymers.

Application

• Pharmaceutical Intermediate: A critical building block for synthesizing novel active pharmaceutical ingredients (APIs), particularly in fragment-based drug discovery and for creating bioisosteres to improve drug-like properties.
• Agrochemical Synthesis: Used in the development of new herbicides, fungicides, and insecticides, where its rigid structure can enhance target binding and environmental stability.
• Materials Science & Polymer Chemistry: Serves as a monomer or cross-linking agent for producing high-performance polymers, resins, and advanced materials with tailored thermal and mechanical properties.
• Ligand & Catalyst Development: Employed in organometallic chemistry to create novel ligands and catalysts for asymmetric synthesis and other catalytic transformations.
• Chemical Biology & Probe Design: Utilized to synthesize molecular probes and bioconjugation reagents for studying biological systems and protein labeling.
• Academic & Industrial R&D: A versatile reagent for methodological development in organic chemistry, enabling new reactions and the exploration of chemical space.

Basic Information

Product Name	Bicyclo[1.1.1]pentane, 1-chloro-3-ethynyl- (9Ci)
CAS No.	128010-98-0
Molecular Formula	C7H7Cl
Molecular Weight	126.58 g/mol
Synonyms	1-Chloro-3-ethynylbicyclo[1.1.1]pentane; 3-Ethynyl-1-chlorobicyclo[1.1.1]pentane; 1-Chloro-3-ethynylpentacyclo[3.1.0.0²,⁴.0³,⁵.0⁶,⁸]hexane; BCP-Cl-alkyne; Bicyclo[1.1.1]pent-1-yl, 1-chloro-3-ethynyl-; (1-Chlorobicyclo[1.1.1]pentan-3-yl)ethyne
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure batch-to-batch consistency and compliance with industry standards. For research and development purposes, we typically supply material with a purity of ≥95% (by GC or HPLC). Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request. Specifications can be tailored to meet specific project requirements, including higher purity grades for advanced applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its highly volatile nature, ensure containers are sealed under an inert atmosphere (e.g., nitrogen or argon) and kept at temperatures between 2°C and 8°C for long-term stability. Keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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