Description

Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)- is a highly strained, polyfunctional organic building block featuring a unique rigid scaffold. This compound is valued for its role as a key intermediate in the synthesis of advanced materials and pharmaceuticals, particularly for introducing the bioisosteric bicyclo[1.1.1]pentane (BCP) unit. It is essential for researchers and process chemists in medicinal chemistry, agrochemical development, and materials science who require high-purity, structurally novel intermediates to drive innovation.

Application

• Medicinal Chemistry & Drug Discovery: As a critical precursor for synthesizing bicyclo[1.1.1]pentane (BCP) bioisosteres, used to replace aromatic rings or tert-butyl groups to improve metabolic stability, solubility, and physicochemical properties of drug candidates.
• Agrochemical Intermediates: Used in the research and development of novel pesticides and herbicides, where the rigid BCP core can enhance biological activity and environmental profile.
• Advanced Materials Synthesis: Serves as a building block for creating polymers and specialty chemicals with unique mechanical or optical properties derived from the strained cage structure.
• Cross-Coupling Reactions: The iodine substituent makes it a valuable electrophile in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Negishi) for constructing complex molecular architectures.
• Fluorinated Compound Libraries: The trifluoromethyl group provides a source of fluorine, enabling the synthesis of fluorinated compounds for screening in various life science applications.
• Academic & Industrial R&D: A valuable reagent for methodology development in organic synthesis, exploring new reactions involving strained hydrocarbon systems.

Basic Information

Product Name	Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)-
CAS No.	119934-12-2
Molecular Formula	C6H6F3I
Molecular Weight	261.01 g/mol
Synonyms	1-Iodo-3-(trifluoromethyl)bicyclo[1.1.1]pentane; 3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-yl iodide; BCP-I-CF3; 1-Iodo-3-trifluoromethylbicyclo[1.1.1]pentane; (3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-yl)iodide; Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)-; Iodo(3-(trifluoromethyl)bicyclo[1.1.1]pentane)
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)- is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP compliance for advanced intermediates intended for pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Recommended storage temperature is between 2°C and 8°C (refrigerated) for long-term stability. Allow the container to reach room temperature before opening to minimize moisture ingress. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	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.