Description

Methyl 3-Methylbicyclo[1.1.1]pentane-1-carboxylate is a high-value, synthetically challenging bicyclic building block prized for its unique three-dimensional structure and strain. This compound serves as a critical intermediate in advanced organic synthesis, particularly for constructing complex molecular architectures in medicinal chemistry and materials science. It is essential for researchers and process chemists in pharmaceutical R&D and agrochemical development seeking to incorporate rigid, sterically defined motifs into new active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing novel drug candidates, especially those targeting central nervous system (CNS) disorders, due to its ability to impart metabolic stability and influence bioavailability.
• Agrochemical Synthesis: Used in the research and development of new-generation pesticides and herbicides, where its bicyclo[1.1.1]pentane scaffold can replace traditional aromatic rings to improve physicochemical properties.
• Materials Science Research: Serves as a precursor for developing specialty polymers and advanced materials with unique mechanical or optical properties derived from its strained cage-like structure.
• Ligand and Catalyst Development: Employed in the synthesis of novel, sterically demanding ligands for asymmetric catalysis and organometallic chemistry.
• Chemical Biology Probes: Utilized as a bioisostere for tert-butyl or phenyl groups in the design of molecular probes and tool compounds to study protein function and biological pathways.
• High-Throughput Screening Libraries: Incorporated into compound libraries to increase three-dimensional character and explore under-represented chemical space in drug discovery campaigns.

Basic Information

Product Name	Methyl 3-Methylbicyclo[1.1.1]pentane-1-carboxylate
CAS No.	796963-31-0
Molecular Formula	C9H14O2
Molecular Weight	154.21 g/mol
Synonyms	3-Methylbicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; Methyl 3-methyl-1-bicyclo[1.1.1]pentanecarboxylate; 1-(Methoxycarbonyl)-3-methylbicyclo[1.1.1]pentane; BCP-methyl ester; 3-Methyl-BCP-COOMe
EINECS	Contact for details

Quality Control

Every batch of Methyl 3-Methylbicyclo[1.1.1]pentane-1-carboxylate is produced and analyzed under strict quality management protocols. We guarantee high chemical purity and lot-to-lot consistency, which is critical for reproducible results in sensitive synthetic applications. Comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, is performed to verify identity and purity. A detailed Certificate of Analysis (COA) is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong acids 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
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC/HPLC)	≥ 95% (Standard Grade) ≥ 98% (High Purity Grade)
Water Content (KF)	≤ 0.5%

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