Description

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-chloro-, methyl ester is a high-value, synthetically challenging bicyclic building block with a unique, highly strained [1.1.1]propellane core. This compound matters as a key intermediate for introducing the rigid, three-dimensional bicyclo[1.1.1]pentane (BCP) scaffold into target molecules, a strategy widely used in medicinal chemistry to improve drug-like properties. Pharmaceutical researchers and agrochemical developers need it to create novel active ingredients with enhanced metabolic stability, solubility, and bioavailability.

Application

• Pharmaceutical Intermediate: A critical building block for synthesizing active pharmaceutical ingredients (APIs) where the BCP moiety acts as a bioisostere for aromatic rings or tert-butyl groups.
• Medicinal Chemistry & Drug Discovery: Used in fragment-based drug design and lead optimization to modulate the physicochemical and pharmacokinetic profiles of drug candidates.
• Agrochemical Synthesis: Serves as an advanced intermediate for developing novel herbicides, fungicides, and insecticides with improved efficacy and environmental profiles.
• Material Science Research: Employed in the synthesis of novel polymers and advanced materials with unique mechanical or optical properties derived from the strained cage structure.
• Ligand and Catalyst Development: Utilized in organometallic chemistry to create novel, sterically demanding ligands for catalytic applications.
• Chemical Biology Probes: Incorporated into molecular probes to study protein-ligand interactions and biological pathways due to its metabolic stability and small, rigid footprint.

Basic Information

Product Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-chloro-, methyl ester
CAS No.	156329-71-4
Molecular Formula	C8H11ClO2
Molecular Weight	174.62 g/mol
Synonyms	Methyl 3-chlorobicyclo[1.1.1]pentane-1-carboxylate; 3-Chlorobicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; BCP-COOMe-Cl; 1-(Methoxycarbonyl)-3-chlorobicyclo[1.1.1]pentane; 3-Chloro-BCP-methyl ester
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-chloro-, methyl ester is produced under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment to support your R&D and regulatory requirements.

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 bases and incompatible organic solvents. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥95% (Typical 97-99%)
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.