Description

3-Phenylbicyclo[1.1.1]pentane-1-carbonitrile is a high-value, synthetically challenging bicyclic nitrile building block prized for its unique three-dimensional structure and rigid geometry. This compound is critical for medicinal chemistry research, enabling the exploration of novel chemical space and the development of new bioactive molecules. It is primarily sought after by pharmaceutical R&D teams and advanced material scientists for applications in drug discovery and specialty polymer synthesis.

Application

• Pharmaceutical Intermediate: Serves as a key synthetic precursor in the development of new active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) and metabolic disorder targets.
• Medicinal Chemistry Scaffold: Used as a bioisostere for phenyl or other aromatic rings to modulate the physicochemical properties, potency, and metabolic stability of drug candidates.
• Agrochemical Research: Employed in the synthesis of novel herbicides and pesticides, leveraging its rigid, three-dimensional structure.
• Material Science: Acts as a monomer or cross-linking agent in the development of specialty polymers with unique thermal and mechanical properties.
• Chemical Biology Probe: Utilized in the design and synthesis of molecular probes for studying enzyme function and protein-ligand interactions.
• Academic & Contract Research: A valuable reagent for universities and CROs conducting fundamental research in organic synthesis and methodology development.

Basic Information

Product Name	3-Phenylbicyclo[1.1.1]pentane-1-carbonitrile
CAS No.	83249-01-8
Molecular Formula	C12H11N
Molecular Weight	169.22 g/mol
Synonyms	1-Cyano-3-phenylbicyclo[1.1.1]pentane; 3-Phenylbicyclo[1.1.1]pentane-1-carbonitrile; [1.1.1]Propellane, 3-phenyl-1-cyano-; Bicyclo[1.1.1]pentane-1-carbonitrile, 3-phenyl-; 3-Phenyl-[1.1.1]propellane-1-carbonitrile
EINECS	Contact for details

Quality Control

Our 3-Phenylbicyclo[1.1.1]pentane-1-carbonitrile is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, confirming compliance with agreed specifications. Our commitment to cGMP principles and ISO standards ensures reliable supply for critical research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents and strong bases. For long-term storage, consider storing under an inert atmosphere such as nitrogen or argon to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	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.