Description

4,4',4''-((1S,3S,5S)-Adamantane-1,3,5-Triyl)Tribenzonitrile is a high-value, stereochemically defined organic building block featuring a rigid adamantane core symmetrically functionalized with three benzonitrile groups. This compound matters for its unique three-dimensional structure, which imparts exceptional thermal stability and precise spatial geometry, making it a critical precursor for advanced materials. It is primarily needed by researchers and manufacturers in the fields of porous organic frameworks (POFs), metal-organic frameworks (MOFs), and specialty polymers where controlled molecular architecture is paramount.

Application

• Advanced Material Synthesis: As a key trifunctional linker for constructing highly ordered, three-dimensional porous organic frameworks (POFs) and covalent organic frameworks (COFs) with tunable pore sizes.
• Metal-Organic Frameworks (MOFs): Serves as a rigid organic ligand to coordinate with metal ions, creating MOFs with enhanced thermal and chemical stability for gas storage, separation, and catalysis.
• Polymer Chemistry: A monomer for synthesizing high-performance, cross-linked polymers and dendrimers with precise structural control, aimed at applications in electronics and coatings.
• Pharmaceutical Intermediates: Potential use as a sophisticated scaffold in medicinal chemistry for developing novel drug candidates with complex, three-dimensional architectures.
• Organic Electronics: Investigation as an electron-deficient component (due to the nitrile groups) in the development of organic semiconductors and non-fullerene acceptors for photovoltaic devices.
• Supramolecular Chemistry: Utilized in the design of complex host-guest systems and molecular machines due to its rigid, shape-persistent geometry.

Basic Information

Item	Detail
Product Name	4,4',4''-((1S,3S,5S)-Adamantane-1,3,5-Triyl)Tribenzonitrile
CAS No.	1160509-22-7
Molecular Formula	C31H25N3
Molecular Weight	439.55 g/mol
Synonyms	1,3,5-Tris(4-cyanophenyl)adamantane (all-*cis* isomer); (1S,3S,5S)-1,3,5-Tris(4-cyanophenyl)adamantane; *cis,cis,cis*-1,3,5-Tris(4-cyanophenyl)adamantane; Tribenzonitrile, 4,4',4''-(1S,3S,5S)-adamantane-1,3,5-triyl-; Adamantane-1,3,5-triyltribenzonitrile (stereospecific); TATB (context-dependent abbreviation); All-*cis* 1,3,5-Tri(4-cyanophenyl)adamantane
EINECS	Contact for details

Quality Control

Our production of 4,4',4''-((1S,3S,5S)-Adamantane-1,3,5-Triyl)Tribenzonitrile adheres to stringent internal quality protocols to ensure batch-to-batch consistency and high chemical purity. Each lot is characterized using advanced analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity, stereochemical purity, and assay. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The compound is considered stable under these conditions for extended periods. For long-term storage, consider storing under an inert atmosphere to maintain optimal quality.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Stereochemical Purity (Chiral HPLC)	≥ 98.0% *de*
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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