Description

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(fluorocarbonyl)-, methyl ester (9Ci) is a highly functionalized, strained bicyclic building block of significant interest in modern synthetic chemistry. Its unique three-dimensional structure and reactive functional groups make it a valuable intermediate for constructing complex molecular architectures that are difficult to access with conventional flat scaffolds. This compound is primarily sought after by pharmaceutical and agrochemical research organizations for applications in drug discovery, medicinal chemistry, and the development of novel crop protection agents.

Application

• Pharmaceutical Intermediate: A key building block for synthesizing novel active pharmaceutical ingredients (APIs), particularly in fragment-based drug discovery and for creating bioisosteres to improve drug properties.
• Medicinal Chemistry Probe: Used to explore three-dimensional chemical space and introduce the rigid, [1.1.1]propellane core into lead compounds to modulate potency, selectivity, and metabolic stability.
• Agrochemical Synthesis: Serves as a precursor for developing new herbicides, fungicides, and insecticides with novel modes of action.
• Advanced Material Precursor: Potential use in creating monomers for specialty polymers with unique mechanical or optical properties derived from the strained ring system.
• Cross-Coupling Substrate: The functional handles allow for further derivatization via modern cross-coupling reactions (e.g., Suzuki, Sonogashira) to create diverse chemical libraries.
• Chemical Biology Tool: Incorporation into molecular probes and tags for studying biological systems and protein-ligand interactions.

Basic Information

Product Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(fluorocarbonyl)-, methyl ester (9Ci)
CAS No.	156329-85-0
Molecular Formula	C8H8F2O3
Molecular Weight	190.15 g/mol
Synonyms	3-(Fluorocarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester; Methyl 3-(fluorocarbonyl)bicyclo[1.1.1]pentane-1-carboxylate; 1-(Methoxycarbonyl)bicyclo[1.1.1]pentane-3-carboxylic acid fluoride; Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, 3-fluoride, 1-methyl ester; [1.1.1]Propellane-1,3-dicarboxylic acid derivative; BCP-F ester; 156329-85-0
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality protocols to ensure batch-to-batch consistency and reliability for critical research and development applications. Quality is verified through comprehensive analytical techniques including HPLC, GC, NMR, and MS. A Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment. We support development under cGMP guidelines where required for pharmaceutical applications.

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 fluorides. The container must be kept tightly closed in a dry and inert atmosphere to maintain product integrity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
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.