Description

Methyl 3-Bromobicyclo[1.1.1]pentane-1-carboxylate is a high-value, synthetically versatile bicyclic building block characterized by its unique [1.1.1]propellane-derived scaffold. This compound is specifically engineered to serve as a key intermediate in advanced organic synthesis, enabling the efficient introduction of the strained bicyclo[1.1.1]pentane (BCP) moiety into target molecules. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry, fragment-based drug discovery, and the synthesis of novel materials.

Application

• Pharmaceutical Intermediate: A critical building block for incorporating the bicyclo[1.1.1]pentane (BCP) bioisostere into drug candidates, improving metabolic stability, solubility, and physicochemical properties.
• Medicinal Chemistry & SAR Studies: Used in structure-activity relationship (SAR) exploration to synthesize novel analogs for hit-to-lead and lead optimization campaigns.
• Agrochemical Synthesis: Serves as an intermediate in the development of new active ingredients with enhanced efficacy and environmental profiles.
• Material Science Research: Employed in the synthesis of unique polymers and advanced materials with tailored mechanical or electronic properties.
• Cross-Coupling Reactions: The bromine substituent makes it a suitable substrate for various palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Negishi).
• Fragment-Based Drug Discovery (FBDD): Used as a three-dimensional, sp3-rich fragment to explore novel chemical space in screening libraries.

Basic Information

Product Name	Methyl 3-Bromobicyclo[1.1.1]pentane-1-carboxylate
CAS No.	83249-14-3
Molecular Formula	C8H11BrO2
Molecular Weight	219.08 g/mol
Synonyms	3-Bromobicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; Methyl 3-bromobicyclo[1.1.1]pentane-1-carboxylate; Methyl 3-bromobicyclo[1.1.1]pentane-1-carboxylate; 3-Bromo-BCP-methyl ester; BCP-Br methyl ester; 1-(Methoxycarbonyl)-3-bromobicyclo[1.1.1]pentane; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-bromo-, methyl ester
EINECS	Contact for details

Quality Control

Our Methyl 3-Bromobicyclo[1.1.1]pentane-1-carboxylate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. We employ advanced analytical techniques including GC, HPLC, NMR, and MS for comprehensive characterization. A Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

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

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