Description

Bicyclo[1.1.1]pentane-1-carboxylic acid, 2,2-difluoro-3-phenyl- is a highly functionalized, strained bicyclic building block of significant interest in modern medicinal chemistry and materials science. Its unique three-dimensional, rigid scaffold and the presence of fluorine atoms make it a powerful tool for modulating the physicochemical properties of target molecules. This compound is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries. It serves as a critical intermediate for creating novel bioactive compounds with enhanced metabolic stability, membrane permeability, and binding affinity.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of drug candidates, particularly in fragment-based drug discovery and for creating bioisosteres of phenyl or tert-butyl groups to improve drug-like properties.
• Agrochemical Research: Used in developing new active ingredients for crop protection, where its structural rigidity and fluorine content can contribute to pest selectivity and environmental stability.
• Materials Science Precursor: Employed in the synthesis of advanced polymers and functional materials that require specific three-dimensional geometry and fluorinated components.
• Chemical Biology Probe: Utilized as a building block for creating molecular probes to study protein-ligand interactions and biological pathways.
• Peptidomimetics: Incorporated into peptide analogs to confer conformational restraint and enhance stability against enzymatic degradation.
• Ligand Development for Catalysis: Serves as a backbone for constructing novel, sterically demanding ligands used in asymmetric catalysis.

Basic Information

Product Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 2,2-difluoro-3-phenyl-
CAS No.	2309454-98-4
Molecular Formula	C13H12F2O2
Molecular Weight	238.23 g/mol
Synonyms	2,2-Difluoro-3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid; 3-Phenyl-2,2-difluorobicyclo[1.1.1]pentane-1-carboxylic acid; BCP-F2-Ph-COOH; [1.1.1]Propellane, 2,2-difluoro-3-phenyl-1-carboxylic acid; Difluorophenyl BCP acid; Bicyclo[1.1.1]pentane carboxylic acid, 2,2-difluoro-3-phenyl derivative
EINECS	Contact for details

Quality Control

Our production of Bicyclo[1.1.1]pentane-1-carboxylic acid, 2,2-difluoro-3-phenyl- adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is fully characterized using advanced analytical techniques including NMR, HPLC, and MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment.

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). This compound should be handled and stored away from strong acids and organic solvents as indicated by its chemical properties. For long-term storage, consider inert atmosphere conditions to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
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.