Description

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, monomethyl ester is a high-value, strained bicyclic building block of significant interest in modern organic synthesis and medicinal chemistry. Its unique three-dimensional, rigid scaffold is prized for its ability to impart favorable physicochemical properties, such as improved metabolic stability and solubility, to target molecules. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries developing novel active ingredients, particularly for fragment-based drug discovery and as a bioisostere for aromatic or aliphatic rings.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of drug candidates, especially those targeting central nervous system (CNS) disorders, where its rigid, three-dimensional structure can enhance blood-brain barrier penetration.
• Bioisostere in Medicinal Chemistry: Used as a saturated, sp3-rich replacement for phenyl or tert-butyl groups to improve solubility, reduce lipophilicity (LogP), and modulate the ADMET profile of lead compounds.
• Agrochemical Synthesis: Serves as a building block for novel herbicides, fungicides, and insecticides, leveraging its stability and unique spatial geometry to interact with biological targets.
• Advanced Material Precursor: Employed in the research and development of specialty polymers, liquid crystals, and organic electronic materials requiring rigid, non-planar core structures.
• Chemical Biology Probe Development: Utilized to create molecular probes and tool compounds for studying protein-ligand interactions and enzyme function due to its distinctive shape.
• Cross-Coupling Reactions: Acts as a substrate in various metal-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) to introduce the bicyclo[1.1.1]pentane motif into more complex architectures.

Basic Information

Product Name	Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, monomethyl ester
CAS No.	83249-10-9
Molecular Formula	C9H12O4
Molecular Weight	184.19 g/mol
Synonyms	1,3-Bicyclo[1.1.1]pentanedicarboxylic acid, monomethyl ester; Methyl 3-(carboxy)bicyclo[1.1.1]pentane-1-carboxylate; Monomethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate; BCP-methyl ester; [1.1.1]Propellane dicarboxylic acid monomethyl ester; BCP-COOH-OMe
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, monomethyl ester is manufactured 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 HPLC, GC, NMR, and MS, for comprehensive characterization and purity verification. A Certificate of Analysis (COA) detailing identity, assay, and impurity profiles is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

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

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%
Heavy Metals	≤ 10 ppm

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