Description

1-Iodo-3-Methylbicyclo[1.1.1]pentane is a highly strained, cage-like organic iodide building block of significant interest in advanced synthetic chemistry. Its unique [1.1.1]propellane-derived structure makes it a valuable precursor for introducing the rigid bicyclo[1.1.1]pentane (BCP) motif, a key isostere for *para*-substituted benzene rings and linear alkynes in medicinal chemistry. This compound is primarily sought by researchers and process chemists in the pharmaceutical and agrochemical industries for the development of novel bioactive molecules with improved metabolic stability and physicochemical properties.

Application

• Pharmaceutical Intermediate: Serves as a key building block for synthesizing drug candidates, particularly for incorporating the BCP bioisostere to modulate potency, solubility, and metabolic profile.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to explore three-dimensional chemical space.
• Agrochemical Synthesis: Employed in the development of novel herbicides, fungicides, and insecticides that benefit from the steric and electronic properties of the BCP core.
• Material Science Precursor: Potential use in creating novel polymers or organic frameworks with unique structural properties derived from the strained cage system.
• Cross-Coupling Reactions: Acts as an electrophilic coupling partner in palladium-catalyzed reactions (e.g., Negishi, Suzuki-Miyaura) for C-C bond formation.
• Radical Chemistry: The carbon-iodine bond can be cleaved under radical conditions, enabling the introduction of the 3-methylbicyclo[1.1.1]pentyl group into complex molecules.

Basic Information

Product Name	1-Iodo-3-Methylbicyclo[1.1.1]pentane
CAS No.	136399-10-5
Molecular Formula	C6H9I
Molecular Weight	208.04 g/mol
Synonyms	3-Methylbicyclo[1.1.1]pentan-1-yl iodide; 3-Methyl-1-iodobicyclo[1.1.1]pentane; 1-Iodo-3-methyl-BCP; Bicyclo[1.1.1]pentane, 1-iodo-3-methyl-; (3-Methylbicyclo[1.1.1]pent-1-yl)iodide
EINECS	Contact for details

Quality Control

Our 1-Iodo-3-Methylbicyclo[1.1.1]pentane is manufactured under strict quality control protocols to ensure high chemical purity and batch-to-batch consistency, critical for research and development applications. Each batch is analyzed using advanced chromatographic and spectroscopic techniques. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). The product is light-sensitive and should be handled under an inert atmosphere when appropriate for prolonged use. Keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 95% (Area %)
Water Content (KF)	≤ 0.5%

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