Description

Methyl3-(Bromomethyl)Bicyclo[1.1.1]Pentane-1-Carboxylate is a high-value, functionalized bicyclic building block used in advanced organic synthesis. Its unique [1.1.1]propellane-derived structure, featuring a reactive bromomethyl group and an ester moiety, makes it a critical intermediate for constructing complex three-dimensional molecular architectures. This compound is primarily utilized by medicinal chemistry and process R&D teams in the pharmaceutical and agrochemical industries for lead optimization and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing drug candidates with sp3-rich, three-dimensional frameworks, particularly in fragment-based drug discovery.
• Agrochemical Synthesis: Used in the research and development of novel pesticides and herbicides that require specific steric and electronic properties.
• Material Science Research: Serves as a precursor for synthesizing specialized polymers or ligands with unique cage-like structures.
• Cross-Coupling Reactions: The bromomethyl group acts as an electrophilic handle for versatile palladium-catalyzed cross-coupling (e.g., Suzuki, Negishi) to introduce the bicyclopentyl motif.
• Bioconjugation & Probe Development: Potential use in creating chemical probes or bioconjugates where the ester can be hydrolyzed or the bromide can be further functionalized.
• Academic & Contract Research: Essential reagent for methodological studies in organic chemistry focused on strain-release and bridgehead functionalization.

Basic Information

Product Name	Methyl3-(Bromomethyl)Bicyclo[1.1.1]Pentane-1-Carboxylate
CAS No.	1113001-87-8
Molecular Formula	C9H13BrO2
Molecular Weight	233.10 g/mol
Synonyms	Methyl 3-(Bromomethyl)bicyclo[1.1.1]pentane-1-carboxylate; 3-(Bromomethyl)bicyclo[1.1.1]pentane-1-carboxylic Acid Methyl Ester; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(bromomethyl)-, methyl ester; Methyl 3-(bromomethyl)[1.1.1]propellane-1-carboxylate; [1.1.1]Propellane, 3-(bromomethyl)-1-(methoxycarbonyl)-
EINECS	Contact for details

Quality Control

Every batch of Methyl3-(Bromomethyl)Bicyclo[1.1.1]Pentane-1-Carboxylate is manufactured and tested under strict quality management systems. We provide comprehensive analytical data to ensure the compound meets the high-purity standards required for research and development. A Certificate of Analysis (COA) detailing purity, identity, and impurity profile is supplied with each 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). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage or after opening to maintain stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
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.