Description

Bicyclo[1.1.1]pentane-1-acetic acid, α,α-difluoro-3-iodo-, ethyl ester is a highly functionalized, strained bicyclic building block of significant interest in modern synthetic and medicinal chemistry. Its unique three-dimensional structure, combined with fluorine and iodine substituents, makes it a valuable intermediate for constructing complex molecules with tailored properties. This compound is primarily utilized by researchers and process chemists in the pharmaceutical and agrochemical industries for applications such as lead optimization, bioisostere replacement, and the synthesis of novel chemical entities.

Application

• Pharmaceutical Intermediate: Serves as a key building block for synthesizing novel active pharmaceutical ingredients (APIs), particularly in fragment-based drug discovery and for introducing metabolically stable difluoromethylene (CF2) groups.
• Bioisostere Development: The bicyclo[1.1.1]pentane (BCP) scaffold is a prominent, three-dimensional bioisostere for para-substituted benzene rings and tert-butyl groups, used to improve the physicochemical and pharmacokinetic properties of drug candidates.
• Agrochemical Synthesis: Employed in the research and development of new herbicides, fungicides, and insecticides where the strained core and halogen atoms can confer unique biological activity.
• Material Science Research: Used as a precursor for developing advanced polymers or specialty materials with specific electronic or structural characteristics.
• Cross-Coupling Reactions: The iodine substituent makes it a suitable substrate for various palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) to create more complex molecular architectures.
• Fluorine Chemistry: Acts as a valuable reagent for studying the effects of fluorine atoms in molecular systems and for synthesizing fluorinated analogs of biologically active compounds.

Basic Information

Product Name	Bicyclo[1.1.1]pentane-1-acetic acid, α,α-difluoro-3-iodo-, ethyl ester
CAS No.	2242693-90-7
Molecular Formula	C9H11F2IO2
Molecular Weight	316.09 g/mol
Synonyms	Ethyl 3-Iodo-1-(difluoromethyl)bicyclo[1.1.1]pentane-1-carboxylate; 1-(Ethoxycarbonyl)-3-iodobicyclo[1.1.1]pentane-1-difluoromethane; 3-Iodo-1-(difluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic Acid Ethyl Ester; BCP-I-CF2COOEt; 1-(Difluoromethyl)-3-iodobicyclo[1.1.1]pentane-1-carboxylic Acid Ethyl Ester
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane-1-acetic acid, α,α-difluoro-3-iodo-, ethyl ester is produced under strict quality management protocols. Each batch undergoes comprehensive 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 to support your research and quality assurance requirements.

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 at 2-8°C under an inert atmosphere. Keep away from strong bases and fluorides.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
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.