Description

Bicyclo[1.1.1]pentane-1-carbonyl chloride, 3-fluoro- (9Ci) is a highly specialized and synthetically valuable fluorinated bicyclic building block. This compound is critical for medicinal chemistry and materials science research, enabling the strategic introduction of the unique, rigid [1.1.1]propellane scaffold and a reactive acid chloride handle into target molecules. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for the synthesis of novel bioactive compounds and functional polymers.

Application

• Pharmaceutical Intermediate: A key precursor for synthesizing drug candidates containing the bioisosteric bicyclo[1.1.1]pentane (BCP) unit, which is used to replace aromatic rings or tert-butyl groups to improve metabolic stability, solubility, and physicochemical properties.
• Medicinal Chemistry & SAR Studies: Enables rapid exploration of structure-activity relationships (SAR) by facilitating amide bond formation to create diverse compound libraries for high-throughput screening.
• Agrochemical Synthesis: Used in the research and development of novel pesticides and herbicides where the rigid, three-dimensional BCP core can enhance binding affinity and environmental stability.
• Advanced Materials & Polymer Chemistry: Serves as a monomer or cross-linking agent for creating polymers with unique mechanical, thermal, or optical properties due to the strained cage structure.
• Chemical Biology Probes: Utilized to create covalent inhibitors or affinity-based probes for target identification and validation in proteomics research.
• Peptide Mimetics & Conjugation: Facilitates the synthesis of peptide analogs and bioconjugates, where the fluorine atom and BCP core can modulate peptide conformation and bioavailability.

Basic Information

Product Name	Bicyclo[1.1.1]pentane-1-carbonyl chloride, 3-fluoro- (9Ci)
CAS No.	146038-54-2
Molecular Formula	C7H6ClFO
Molecular Weight	160.57 g/mol
Synonyms	3-Fluorobicyclo[1.1.1]pentane-1-carbonyl chloride; 3-Fluoro[1.1.1]propellane-1-carbonyl chloride; 3-Fluoro-BCP-COCl; 1-(Chlorocarbonyl)-3-fluorobicyclo[1.1.1]pentane; 3-Fluoropentacyclo[3.1.0.02,4.03,5.01,3]pentane-1-carbonyl chloride
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for research and development. Each batch is characterized using advanced analytical techniques including NMR, HPLC, and GC-MS to confirm identity, purity, and the absence of critical impurities. Certificates of Analysis (COA) detailing batch-specific results are available upon request. We adhere to a quality management system to ensure traceability and consistency for our customers' critical synthetic workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic and moisture-sensitive nature, containers should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) and allowed to reach room temperature before opening to prevent condensation. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95%
Assay (NMR)	≥ 97%
Water Content (KF)	≤ 0.5%

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