Description

3-Bromobicyclo[1.1.1]pentane-1-carbonitrile is a highly functionalized, strained bicyclic organic compound that serves as a valuable and versatile building block in advanced chemical synthesis. Its unique bridged [1.1.1]propellane core, functionalized with bromine and nitrile groups, makes it a critical intermediate for constructing complex molecular architectures. This compound is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for applications in medicinal chemistry, drug discovery, and the development of novel crop protection agents.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing novel active pharmaceutical ingredients (APIs), particularly in fragment-based drug discovery and for creating bioisosteres.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides that require strained, three-dimensional scaffolds.
• Material Science Research: Serves as a precursor for developing advanced polymers and functional materials with unique mechanical or electronic properties.
• Medicinal Chemistry: Employed in lead optimization to improve the pharmacokinetic properties of drug candidates by incorporating its rigid, sp3-rich structure.
• Chemical Biology: Utilized as a probe or linker in bioconjugation chemistry and for studying protein-ligand interactions.
• Cross-Coupling Reactions: The bromine substituent makes it a suitable substrate for various palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Negishi) to form new carbon-carbon bonds.

Basic Information

Product Name	3-Bromobicyclo[1.1.1]pentane-1-carbonitrile
CAS No.	156329-61-2
Molecular Formula	C7H6BrN
Molecular Weight	184.03 g/mol
Synonyms	1-Bromo-3-cyanobicyclo[1.1.1]pentane; Bicyclo[1.1.1]pentane-1-carbonitrile, 3-bromo-; 3-Cyanobicyclo[1.1.1]pentan-1-yl bromide; [1.1.1]Propellane-1-carbonitrile, 3-bromo-; 3-Bromo[1.1.1]propellane-1-carbonitrile
EINECS	Contact for details

Quality Control

Our 3-Bromobicyclo[1.1.1]pentane-1-carbonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with every shipment, detailing all relevant specifications. Our quality commitment ensures material consistency and reliability for your critical research and development projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

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