Description

1H-1,4,7-Triazonine-1,4,7-Triacetic Acid, Hexahydro-, 1,4-Bis(1,1-Dimethylethyl) Ester is a high-purity, protected intermediate featuring a versatile triaza macrocyclic backbone. This compound is critically important for its role as a precursor in the synthesis of advanced chelating agents and macrocyclic ligands used in medical imaging and catalysis. It is primarily sought by research institutions and industrial manufacturers in the pharmaceutical, diagnostic, and specialty chemical sectors for developing novel metal complexes.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing macrocyclic chelators used in contrast agents for Magnetic Resonance Imaging (MRI).
• Diagnostic Agent Precursor: Serves as a protected intermediate in the production of radiolabeled compounds for positron emission tomography (PET) and single-photon emission computed tomography (SPECT).
• Catalysis Research: Used to develop novel homogeneous catalysts and ligands for asymmetric synthesis and transition metal catalysis.
• Coordination Chemistry: Fundamental material for academic and industrial research into new metal-organic frameworks (MOFs) and supramolecular complexes.
• Chemical Synthesis: Protected ester form allows for selective deprotection and further functionalization in multi-step organic syntheses.
• Material Science: Potential component in the development of advanced polymers and functional materials with specific metal-binding properties.

Basic Information

Item	Details
Product Name	1H-1,4,7-Triazonine-1,4,7-Triacetic Acid, Hexahydro-, 1,4-Bis(1,1-Dimethylethyl) Ester
CAS No.	1161415-28-6
Molecular Formula	C20H38N3O6
Molecular Weight	416.53 g/mol
Synonyms	1,4,7-Triazacyclononane-1,4,7-triacetic Acid, 1,4-Bis(tert-butyl) Ester; TACN-Tris(t-Bu ester); 1,4,7-Triazacyclononane-N,N',N''-triacetic Acid Tri-tert-butyl Ester; NOTA-tris(t-Bu ester); Hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic Acid, 1,4-Bis(1,1-Dimethylethyl) Ester; 1,4,7-Triazacyclononane-1,4,7-triyltriacetic Acid Tri-tert-butyl Ester; Tris(tert-butyl) NOTA; 1,4,7-Triazanonane-1,4,7-triacetic Acid, 1,4-Bis-tert-butyl Ester
EINECS	Contact for details

Quality Control

Our 1H-1,4,7-Triazonine-1,4,7-Triacetic Acid, Hexahydro-, 1,4-Bis(1,1-Dimethylethyl) Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure high chemical purity and structural integrity. Certificates of Analysis (COA) with detailed chromatographic data are provided to support research and cGMP-grade applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under anhydrous conditions. For long-term storage, consider storing under an inert atmosphere such as argon or nitrogen.

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.