Description

Bicyclo[1.1.1]pentane, 1-(difluoromethyl)-3-iodo- is a highly functionalized, strained bicyclic organic compound that serves as a valuable and versatile building block in advanced chemical synthesis. Its unique three-dimensional structure, combined with reactive iodine and difluoromethyl handles, makes it a critical intermediate for constructing complex molecular architectures with tailored properties. This compound is primarily utilized by research and development teams in the pharmaceutical, agrochemical, and materials science industries for applications such as medicinal chemistry, drug discovery, and the development of novel functional materials.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in fragment-based drug discovery and for creating sp3-rich, bioisosteric replacements to improve drug-like properties.
• Agrochemical Synthesis: Used in the research and development of new crop protection agents, where its unique scaffold can contribute to enhanced biological activity and environmental profile.
• Materials Science Research: Employed in the development of advanced organic materials, including liquid crystals, polymers, and organic electronic components, due to its rigid, three-dimensional geometry.
• Cross-Coupling Reactions: The iodine substituent makes it an excellent substrate for various palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira, Negishi) to form new carbon-carbon bonds.
• Fluorine Chemistry: The difluoromethyl group serves as a valuable source of fluorine, enabling the introduction of fluorinated motifs to modulate lipophilicity, metabolic stability, and bioavailability in target molecules.
• Chemical Biology Probes: Useful for synthesizing molecular probes and tags for studying biological systems and protein-ligand interactions.

Basic Information

Product Name	Bicyclo[1.1.1]pentane, 1-(difluoromethyl)-3-iodo-
CAS No.	2363075-15-2
Molecular Formula	C7H7F2I
Molecular Weight	256.03 g/mol
Synonyms	1-(Difluoromethyl)-3-iodobicyclo[1.1.1]pentane; 3-Iodo-1-(difluoromethyl)bicyclo[1.1.1]pentane; 1-Iodo-3-(difluoromethyl)bicyclo[1.1.1]pentane; BCP-I-CF2H; Iodo-difluoromethyl bicyclo[1.1.1]pentane; Bicyclo[1.1.1]pentyl iodide, 1-(difluoromethyl)-; [1.1.1]Propellane, 3-iodo-1-(difluoromethyl)- (derivative)
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane, 1-(difluoromethyl)-3-iodo- is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity, essential for sensitive R&D and scale-up processes. All products undergo rigorous analytical testing, including NMR (¹H, ¹³C, ¹⁹F), HPLC, and GC analysis, to verify identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. For long-term storage, it is recommended to keep the material under an inert atmosphere (e.g., nitrogen or argon) at temperatures between 2°C and 8°C (refrigerated) to maintain stability and prevent decomposition.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥95% (Typical 97-99%)
Water Content (KF)	≤0.5%
Residual Solvents (GC)	Meets ICH guidelines

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