Description

Methyl 3-Acetylbicyclo[1.1.1]pentane-1-carboxylate is a high-value, synthetically versatile bicyclic building block featuring a unique [1.1.1]propellane-derived scaffold. This compound is critical for advanced organic synthesis, enabling the efficient construction of complex, three-dimensional molecular architectures that are difficult to access via conventional routes. It is primarily sought after by pharmaceutical and agrochemical R&D organizations for applications in medicinal chemistry, fragment-based drug discovery, and the development of novel bioactive compounds.

Application

• Pharmaceutical Intermediates: A key precursor in the synthesis of novel active pharmaceutical ingredients (APIs) with sp3-rich, three-dimensional character.
• Medicinal Chemistry & Drug Discovery: Used as a privileged scaffold or fragment in hit-to-lead optimization to improve physicochemical properties like solubility and metabolic stability.
• Agrochemical Research: Serves as a building block for developing new crop protection agents with unique modes of action.
• Material Science: Potential monomer or cross-linker for creating polymers with specialized mechanical or optical properties.
• Academic & Industrial R&D: Employed in methodological studies and the exploration of new chemical space in organic synthesis.
• Ligand & Catalyst Development: Useful for constructing sterically demanding, bicyclic ligand frameworks for catalysis.

Basic Information

Product Name	Methyl 3-Acetylbicyclo[1.1.1]pentane-1-carboxylate
CAS No.	131515-42-9
Molecular Formula	C9H12O3
Molecular Weight	168.19 g/mol
Synonyms	Methyl 3-acetylbicyclo[1.1.1]pentane-1-carboxylate; 3-Acetylbicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; 1-(3-Methoxycarbonylbicyclo[1.1.1]pent-1-yl)ethanone; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-acetyl-, methyl ester; Methyl 3-acetyl-1-bicyclo[1.1.1]pentanecarboxylate
EINECS	Contact for details

Quality Control

Our Methyl 3-Acetylbicyclo[1.1.1]pentane-1-carboxylate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical characterization, including HPLC, GC, NMR, and MS, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications. We support cGMP and ISO 9001 standards for research and development materials.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider inert atmosphere conditions to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Purity (GC)	≥ 95.0%
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.