Description

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester (9Ci) is a highly specialized and synthetically valuable bicyclic building block. This compound is prized for its unique, rigid, and highly strained [1.1.1]propellane core, which serves as a bioisostere for *para*-substituted benzene rings and linear alkynes in medicinal chemistry. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for the synthesis of novel active ingredients. The CAS number for this compound is 156329-62-3.

Application

• Pharmaceutical Intermediate: A key building block for synthesizing drug candidates, particularly as a sp3-rich, three-dimensional bioisostere to improve physicochemical properties.
• Medicinal Chemistry Research: Used in fragment-based drug discovery and lead optimization programs to explore novel chemical space and modulate ADMET profiles.
• Agrochemical Development: Employed in the research and synthesis of new herbicides, fungicides, and insecticides with potentially novel modes of action.
• Material Science Precursor: Serves as a monomer or cross-linker for creating polymers with unique mechanical properties derived from the strained bicyclic structure.
• Chemical Biology Probes: Utilized in the development of molecular probes and tags for studying biological systems due to its distinctive structural motif.
• Academic & Industrial R&D: A valuable reagent for methodological development in organic synthesis, particularly in strain-release chemistry and cross-coupling reactions.

Basic Information

Product Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester (9Ci)
CAS No.	156329-62-3
Molecular Formula	C9H10N2O2
Molecular Weight	178.19 g/mol
Synonyms	Methyl 3-cyanobicyclo[1.1.1]pentane-1-carboxylate; 3-Cyanobicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester; 1-(Methoxycarbonyl)bicyclo[1.1.1]pentane-3-carbonitrile; [1.1.1]Propellane-1,3-dicarboxylic acid, 1-methyl ester, 3-nitrile; BCP-CN-ester
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and structural identity. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to support your R&D and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). The container should be kept tightly sealed in a dry environment to minimize exposure to moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	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.