Description

(1S,2R,3R,8S)-4-Cyanocubane-1-Carboxylic Acid is a highly specialized and synthetically challenging derivative of the cubane scaffold, prized for its unique three-dimensional geometry and electronic properties. This compound serves as a critical advanced intermediate for the development of novel materials and pharmaceuticals, where its rigid, cage-like structure imparts exceptional stability and performance characteristics. It is primarily sought after by research institutions and industrial R&D departments focused on high-energy materials, medicinal chemistry, and advanced polymer science.

Application

• Pharmaceutical Research: As a key building block for novel drug candidates, particularly in structure-based drug design where a rigid, three-dimensional pharmacophore is required.
• High-Energy Materials (HEMs): Serves as a precursor for synthesizing next-generation explosives and propellants, leveraging the high strain energy and density of the cubane core.
• Advanced Material Science: Used in the synthesis of metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and other functional materials with tailored porosity and electronic properties.
• Agrochemical Development: Employed as an intermediate for creating novel pesticides and herbicides with unique modes of action and enhanced environmental profiles.
• Ligand Synthesis for Catalysis: The carboxylic acid and nitrile functionalities allow for the creation of novel, sterically demanding ligands for transition metal catalysis.
• Academic & Industrial R&D: A valuable tool for fundamental studies in organic synthesis, physical organic chemistry, and the exploration of structure-property relationships.

Basic Information

Product Name	(1S,2R,3R,8S)-4-Cyanocubane-1-Carboxylic Acid
CAS No.	26209-41-6
Molecular Formula	C11H9NO2
Molecular Weight	187.20 g/mol
Synonyms	4-Cyanocubane-1-carboxylic acid; (1S,2R,3R,8S)-4-Cyanopentacyclo[4.2.0.0²,⁵.0³,⁸.0⁴,⁷]octane-1-carboxylic acid; Cubane-1-carboxylic acid, 4-cyano-; 4-Cyano-1-cubanecarboxylic acid; 1-Carboxy-4-cyanocubane; (1S,2R,3R,8S)-4-Cyano-1-cubanecarboxylic acid
EINECS	Contact for details

Quality Control

Our (1S,2R,3R,8S)-4-Cyanocubane-1-Carboxylic Acid is manufactured under strict quality protocols to ensure batch-to-batch consistency and high purity, essential for sensitive research and development applications. Each lot undergoes comprehensive analytical characterization, including HPLC, NMR, and MS, to confirm identity and purity. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality attributes.

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). The product is 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.