Description

3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid is a highly functionalized, strained bicyclic building block of significant interest in modern synthetic chemistry. Its unique three-dimensional, rigid scaffold and fluorine substituent make it a valuable intermediate for designing novel bioactive molecules with enhanced metabolic stability and binding affinity. This compound is primarily utilized by pharmaceutical and agrochemical research organizations seeking to explore new chemical space and develop the next generation of small-molecule therapeutics and crop protection agents.

Application

• Pharmaceutical Intermediate: A key synthon for incorporating the rigid bicyclo[1.1.1]pentane (BCP) pharmacophore into drug candidates, potentially improving potency and ADMET properties.
• Medicinal Chemistry & SAR Studies: Used in structure-activity relationship (SAR) explorations to investigate the effects of fluorine and the BCP cage on biological activity.
• Agrochemical Research: Serves as a building block for novel herbicides, fungicides, or insecticides, leveraging the stability imparted by the fluorinated BCP core.
• Material Science Precursor: Can be used to synthesize novel monomers or ligands for advanced polymers and functional materials.
• Chemical Biology Probes: Employed in the synthesis of chemical probes to study enzyme function or protein-protein interactions.
• Methodology Development: A challenging substrate for developing new fluorination or cross-coupling methodologies in academic and industrial R&D settings.

Basic Information

Item	Details
Product Name	3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid
CAS No.	146038-53-1
Molecular Formula	C7H7FO2
Molecular Weight	142.13 g/mol
Synonyms	3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid; 3-Fluoro-BCP-COOH; 3-Fluoro-1-bicyclo[1.1.1]pentanecarboxylic acid; 3-Fluoro-1-carboxybicyclo[1.1.1]pentane; 1-Carboxy-3-fluorobicyclo[1.1.1]pentane; 3-Fluoro-BCP-acid; 3-F-BCP-1-COOH; Fluorinated BCP acid
EINECS	Contact for details

Quality Control

Every batch of 3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid is manufactured and tested under strict quality management systems. We provide comprehensive analytical data including HPLC purity, NMR (¹H, ¹³C, ¹⁹F), and mass spectrometry to confirm identity and quality. Certificates of Analysis (COA) are available for all shipments, ensuring traceability and compliance with your research and development requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). This compound is compatible with strong acids and organic solvents but should be kept away from strong bases and oxidizing agents. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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