Description

Trifluoro-(3-Methoxycarbonyl-1-Bicyclo[1.1.1]Pentanyl)Boranuide is a specialized organoboron reagent featuring a rigid bicyclo[1.1.1]pentane (BCP) scaffold, a structure of high interest in modern medicinal chemistry for its bioisosteric properties. This compound matters as a key building block for the synthesis of novel pharmaceutical candidates, enabling the precise introduction of the BCP motif to modulate a molecule's physicochemical and metabolic profile. It is primarily needed by research and development teams in the pharmaceutical and agrochemical industries for lead optimization and the creation of patentable new chemical entities with improved properties.

Application

• Pharmaceutical Intermediate: A critical building block for synthesizing drug candidates containing the bicyclo[1.1.1]pentane (BCP) bioisostere, used to replace aromatic rings or tert-butyl groups to improve metabolic stability, solubility, and potency.
• Medicinal Chemistry Research: Enables structure-activity relationship (SAR) studies and lead optimization in drug discovery programs targeting CNS disorders, oncology, and metabolic diseases.
• Agrochemical Synthesis: Used in the research and development of novel crop protection agents and herbicides, where the BCP unit can enhance biological activity and environmental profile.
• Material Science Precursor: Serves as a specialized monomer or cross-linking agent in the development of advanced polymers with unique structural and thermal properties.
• Cross-Coupling Reactions: Functions as an organoboron reagent in Suzuki-Miyaura and other transition metal-catalyzed cross-coupling reactions to form C-C bonds under mild conditions.
• Probe and Diagnostic Agent Development: Utilized in the creation of molecular probes, PET tracers, and other diagnostic tools where the compact, three-dimensional BCP core is advantageous.

Basic Information

Item	Detail
Product Name	Trifluoro-(3-Methoxycarbonyl-1-Bicyclo[1.1.1]Pentanyl)Boranuide
CAS No.	2410559-74-7
Molecular Formula	C9H10BF3O2
Molecular Weight	217.98 g/mol
Synonyms	Methyl 3-(Trifluoroboranyl)bicyclo[1.1.1]pentane-1-carboxylate; (3-Methoxycarbonylbicyclo[1.1.1]pentan-1-yl)trifluoroboranuide; Potassium Trifluoro(3-methoxycarbonylbicyclo[1.1.1]pentan-1-yl)borate (common salt form); BCP-Boronate Ester; 1-(Methoxycarbonyl)bicyclo[1.1.1]pentane-3-trifluoroboronate; Trifluoro(3-(methoxycarbonyl)bicyclo[1.1.1]pentan-1-yl)borate
EINECS	Contact for details

Quality Control

Our Trifluoro-(3-Methoxycarbonyl-1-Bicyclo[1.1.1]Pentanyl)Boranuide is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR (¹H, ¹³C, ¹⁹F, ¹¹B), HPLC, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP compliance for advanced pharmaceutical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C under an inert atmosphere (argon or nitrogen). Due to its hygroscopic nature, the container must be kept sealed and allowed to equilibrate to room temperature before opening to prevent moisture ingress.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥95% (Area %)
¹H NMR Purity	≥95%
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.