Description

3-((Benzyloxy)Methyl)Bicyclo[1.1.1]Pentane-1-Carboxylic Acid is a high-value, synthetically challenging bicyclic building block featuring a rigid [1.1.1]propellane core. This compound matters as a key intermediate for medicinal chemistry, enabling the rapid exploration of three-dimensional chemical space to improve drug-like properties such as metabolic stability and binding affinity. Pharmaceutical R&D and agrochemical innovators need this advanced scaffold to develop novel bioactive molecules with enhanced profiles.

Application

• Pharmaceutical Intermediate: Serves as a critical building block for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in fragment-based drug discovery.
• Bioisostere Development: Used to replace linear or planar aromatic systems with a three-dimensional, sp3-rich scaffold to improve solubility and reduce toxicity.
• Medicinal Chemistry Research: Enables the synthesis of compound libraries for high-throughput screening against challenging biological targets.
• Agrochemical Synthesis: Acts as an advanced intermediate in the development of new generation herbicides and fungicides with novel modes of action.
• Material Science Precursor: Potential use in creating novel polymers and advanced materials with unique structural properties derived from the strained bicyclic system.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying enzyme function and protein-protein interactions.

Basic Information

Product Name	3-((Benzyloxy)Methyl)Bicyclo[1.1.1]Pentane-1-Carboxylic Acid
CAS No.	2168454-56-4
Molecular Formula	C14H16O3
Molecular Weight	232.28 g/mol
Synonyms	1-Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[(phenylmethoxy)methyl]-; 3-(Benzyloxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid; [1.1.1]Propellane-1-carboxylic acid, 3-(benzyloxymethyl)- derivative; BCP-Benzyloxy Acid; (3-((Benzyloxy)methyl)bicyclo[1.1.1]pentan-1-yl)formic acid
EINECS	Contact for details

Quality Control

Our 3-((Benzyloxy)Methyl)Bicyclo[1.1.1]Pentane-1-Carboxylic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure compliance with exacting R&D and process chemistry standards. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This material is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.