Description

3-(Acetyloxy)Bicyclo[1.1.1]Pentane-1-Carboxylic Acid is a high-value, synthetically challenging bicyclic building block of significant interest in advanced organic synthesis. Its unique [1.1.1]propellane-derived, highly strained structure makes it a critical intermediate for constructing complex three-dimensional molecular architectures. This compound is primarily sought after by pharmaceutical and agrochemical R&D teams for applications in medicinal chemistry, fragment-based drug discovery, and the development of novel bioactive compounds.

Application

• Pharmaceutical Intermediate: A key synthon for introducing the rigid, three-dimensional bicyclo[1.1.1]pentane (BCP) scaffold into drug candidates to improve metabolic stability, solubility, and binding affinity.
• Medicinal Chemistry & Drug Discovery: Used in fragment-based screening and lead optimization to explore novel chemical space and replace traditional aromatic or aliphatic rings.
• Agrochemical Synthesis: Serves as a building block for developing new generation pesticides and herbicides with enhanced efficacy and environmental profiles.
• Advanced Material Precursor: Potential use in synthesizing specialty polymers and functional materials with unique mechanical or optical properties derived from the strained cage structure.
• Academic & Industrial Research: A valuable reagent for methodological development in organic synthesis and catalysis, particularly in strain-release functionalization.
• Bioconjugation & Probe Development: Can be utilized to create chemically stable linkers or tags for bioconjugation in chemical biology and diagnostic applications.

Basic Information

Product Name	3-(Acetyloxy)Bicyclo[1.1.1]Pentane-1-Carboxylic Acid
CAS No.	83249-07-4
Molecular Formula	C8H10O4
Molecular Weight	170.16 g/mol
Synonyms	1-Carboxybicyclo[1.1.1]pentan-3-yl acetate; Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(acetyloxy)-; 3-Acetoxybicyclo[1.1.1]pentane-1-carboxylic acid; 3-Acetyloxybicyclo[1.1.1]pentane-1-carboxylic acid; BCP-COOH-OAc; [1.1.1]Propellane-1,3-dicarboxylic acid 3-methyl ester; 3-O-Acetyl bicyclo[1.1.1]pentane-1-carboxylic acid
EINECS	Contact for details

Quality Control

Our 3-(Acetyloxy)Bicyclo[1.1.1]Pentane-1-Carboxylic Acid is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity, critical for sensitive R&D and scale-up processes. We provide comprehensive analytical data including HPLC purity, NMR, and MS characterization. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available for every batch and supplied upon request.

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). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and potential 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%
Residual Solvents (GC)	Meets ICH guidelines

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