Description

Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester (9Ci) is a high-value, strained bicyclic building block of significant interest in modern organic synthesis and medicinal chemistry. Its unique, rigid [1.1.1]propellane-derived structure makes it a critical precursor for the synthesis of bioisosteres, particularly for the incorporation of the bicyclo[1.1.1]pentane motif, which is a valuable disubstituted alkyne and tert-butyl group surrogate in drug discovery. This compound is primarily utilized by pharmaceutical R&D teams and advanced material scientists seeking to modulate the physicochemical properties of lead compounds, such as improving metabolic stability, solubility, and reducing lipophilicity. The product, identified by CAS number 106813-54-1, is supplied to meet the stringent requirements of process chemistry and early-stage development.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of bicyclo[1.1.1]pentane (BCP) bioisosteres in active pharmaceutical ingredients (APIs) to replace linear alkynes or tert-butyl groups.
• Medicinal Chemistry: Used in fragment-based drug discovery and lead optimization programs to improve drug-like properties including metabolic stability, membrane permeability, and conformational rigidity.
• Agrochemical Research: Serves as a building block for novel crop protection agents, where the BCP core can enhance stability and efficacy.
• Material Science: Potential monomer or cross-linker for creating polymers with unique mechanical or optical properties due to its highly strained, three-dimensional geometry.
• Chemical Biology: Employed in the synthesis of probes and tools for studying biological systems and protein-ligand interactions.
• Academic & Industrial R&D: Fundamental research reagent for developing new synthetic methodologies involving strained cage compounds.

Basic Information

Item	Detail
Product Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester (9Ci)
CAS No.	106813-54-1
Molecular Formula	C8H12O2
Molecular Weight	140.18 g/mol
Synonyms	Methyl bicyclo[1.1.1]pentane-1-carboxylate; 1-(Methoxycarbonyl)bicyclo[1.1.1]pentane; Bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; BCP-ester; [1.1.1]Propellane-1-carboxylic acid, methyl ester; Methyl 1-bicyclo[1.1.1]pentanecarboxylate
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester is produced under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. We employ advanced analytical techniques, including GC, HPLC, and NMR, to verify identity and quantify purity. A comprehensive Certificate of Analysis (COA) detailing assay, impurity profile, and physical characteristics is provided with each shipment. Our quality management system is designed to support cGMP and ISO standards for reliable sourcing.

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 materials such as strong oxidizing agents. Due to its sensitivity, the container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to maintain product integrity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 95.0% (Typical 97-99%)
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.