Description

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester is a highly specialized and valuable bifunctional building block, integrating the unique [1.1.1]propellane core with a boronic ester handle. This compound matters for its critical role in modern synthetic chemistry, particularly in Suzuki-Miyaura cross-coupling reactions, enabling the efficient construction of complex, three-dimensional molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for creating novel bioactive compounds and functional polymers.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing drug candidates with sp3-rich, three-dimensional frameworks to improve physicochemical properties and patentability.
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides that require specific, strained hydrocarbon motifs for enhanced activity.
• Materials Science: Incorporation into polymers and advanced materials to modify rigidity, thermal stability, and optical properties via the bicyclo[1.1.1]pentane unit.
• Suzuki-Miyaura Cross-Coupling: The pinacol boronic ester functionality enables efficient, palladium-catalyzed carbon-carbon bond formation with a wide range of aryl and vinyl halides.
• Medicinal Chemistry & Lead Optimization: Serves as a bioisostere for para-substituted benzene rings or tert-butyl groups to modulate lipophilicity, metabolic stability, and conformational properties.
• Chemical Biology & Probe Development: Used to create molecular probes and tool compounds for studying biological targets and pathways.
• Process Chemistry: Scalable intermediate for the production of active pharmaceutical ingredients (APIs) under GMP conditions.
• Academic Research: Fundamental studies in organic synthesis and methodology development involving strained cage compounds and boron chemistry.

Basic Information

Item	Details
Product Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No.	2410440-12-7
Molecular Formula	C13H21BO4
Molecular Weight	252.11 g/mol
Synonyms	Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylate; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- methyl ester; 3-BPin-BCP-methyl ester; Methyl 3-(pinacolatoboryl)bicyclo[1.1.1]pentane-1-carboxylate; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; BCP-BPin Methyl Ester; [1.1.1]Propellane-based boronic ester
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane boronic ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR (¹H, ¹³C, ¹¹B), and GC-MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our production adheres to cGMP guidelines where applicable, ensuring reliability for research and scale-up activities.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (argon or nitrogen) at 2-8°C in a freezer. This compound is hygroscopic (moisture-sensitive) and easily oxidized; prolonged exposure to air, moisture, or ambient temperature will lead to degradation. Allow the sealed container to equilibrate to room temperature before opening to prevent condensation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Assay (NMR)	≥ 97.0%
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.