Description

3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid is a high-value, structurally constrained bicyclic building block featuring both a carboxylic acid and a nitrile functional group. This unique scaffold is critical for medicinal chemistry research, enabling the synthesis of novel compounds with improved metabolic stability and three-dimensional character. It is primarily sought by pharmaceutical and agrochemical R&D organizations for applications in drug discovery and the development of advanced materials.

Application

• Pharmaceutical Intermediates: A key synthon for creating bioisosteres, particularly as a rigid, sp3-rich replacement for aromatic rings or linear chains to modulate physicochemical properties.
• Agrochemical Research: Used in the synthesis of novel active ingredients with potentially enhanced activity and environmental profiles.
• Material Science: Serves as a precursor for specialty polymers and advanced organic frameworks (MOFs/COFs) due to its rigid, multi-functional geometry.
• Chemical Biology: Employed in the design of molecular probes and enzyme inhibitors that exploit its unique spatial configuration.
• Ligand Synthesis: Useful for constructing complex, chelating ligands in catalysis and coordination chemistry.

Basic Information

Product Name	3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid
CAS No.	83249-02-9
Molecular Formula	C7H7NO2
Molecular Weight	137.14 g/mol
Synonyms	3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid; 1-Carboxy-3-cyanobicyclo[1.1.1]pentane; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-; 3-Cyano-bicyclo[1.1.1]pentane-1-carboxylic acid; [1.1.1]Propellane-3-carboxylic acid, 1-cyano-; 1-Cyano-3-carboxybicyclo[1.1.1]pentane
EINECS	Contact for details

Quality Control

Our production of 3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid adheres to stringent quality management protocols. Each batch is characterized and tested using advanced analytical techniques including HPLC, GC, NMR, and MS to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to guarantee compliance with your research and development requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). This compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified.

Specification

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