114873-52-8

Basic information

• Product Name: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
• Synonyms: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane;1,4,7,10-Tetraazacyclododecane-1,4,7-tris(t-ethyl acetate)DO3A-t-Ethyl ester;Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate;1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-triethyl ester
• CAS NO: 114873-52-8
• Molecular Formula: C₂₀H₃₈N₄O₆
• Molecular Weight: 430.55
• Mol File: 114873-52-8.mol

Chemical Properties

• Boiling Point: 514.8 °C at 760 mmHg
• Flash Point: 265.1 °C
• Appearance: /
• Density: 1.064
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.466
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 9.59±0.20(Predicted)
• CAS DataBase Reference: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane(114873-52-8)
• EPA Substance Registry System: 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane(114873-52-8)

Safety Data

• Hazardous Substances Data: 114873-52-8(Hazardous Substances Data)

Usage

Uses

Used in Coordination Chemistry:
1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane is used as a chelating agent for its high affinity to metal ions, particularly transition metal ions. This property makes it valuable in the field of coordination chemistry for the formation of stable complexes with metal ions.
Used in Medicine:
In the medical field, 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane is used as a chelating agent for the selective binding of metal ions. This selective binding can be beneficial in the treatment of metal ion-related disorders or in the development of diagnostic tools for metal ion detection.
Used in Catalysis:
1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane can be used as a catalyst or catalyst support in various chemical reactions. Its ability to bind metal ions allows for the creation of catalytically active sites, enhancing the efficiency of certain reactions.
Used in Environmental Science:
In environmental science, 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane can be employed for the selective removal or recovery of metal ions from contaminated water or soil. Its high affinity for metal ions makes it a potential candidate for use in environmental remediation processes.
It is important to handle 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane with caution, as it may pose hazards to human health and the environment if not properly managed.

InChI:InChI=1/C20H38N4O6/c1-4-28-18(25)15-22-9-7-21-8-10-23(16-19(26)29-5-2)12-14-24(13-11-22)17-20(27)30-6-3/h21H,4-17H2,1-3H3

Upstream product

• 105-36-2 ethyl bromoacetate 
• 294-90-6 1,4,7,10-tetraazacyclododecan 

Downstream Products

• 885511-60-4 heptaethyl ester 10-[bis(phosphono)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic 
• 64-17-5 ethanol 
• 170215-91-5 1-[3-(N-[2-(4-Methoxyphenyl)-ethyl]-mesylamino)-2-hydroxypropyl]-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 170215-93-7 1-{3-[N-(2-Benzyloxy-ethyl)-mesylamino]-2-hydroxypropyl}-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 1361124-79-9 C₃₂H₅₁N₅O₁₀ 
• 1361124-83-5 C₃₁H₄₉N₅O₁₀ 
• 170216-03-2 1-{3-[N-(3,5-Dioxa-4-phenyl-cyclohexyl)-mesylamino]-2-hydroxypropyl}-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 170215-89-1 1-[3-(N-2-Phenylethyl-mesylamino)-2-hydroxypropyl]-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 170215-87-9 1-[3-(N-Benzyl-mesylamino)-2-hydroxypropyl]-4,7,10-tris-(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 
• 149440-35-7 1,4,7-tris(carboxymethyl)-10-<(4-aminophenyl)methyl>-1,4,7,10-tetraazacyclodecane 

Relevant articles and documents

Synthesis of macrocyclic bifunctional chelating agents: 1,4,7-tris(carboxymethyl)-10-(2-aminoethyl)-1,4,7,10-tetraazacyclododecane and 1,4,8-tris(carboxymethyl)-11-(2-aminoethyl)-1,4,8,11-tetraazacyclotetradecane

The convenient, synthetically useful bifunctional chelating agents, 1,4,7-tris(carboxymethyl)-10-(2-aminoethyl)-1,4,7,10-tetraazacyclododecane and 1,4,8-tris(carboxymethyl)-11-(2-aminoethyl)-1,4,8,11- tetraazacyclotetradecane, were obtained by reaction of ethyl bromoacetate with 1,4,7,10-tetraazacyclododecane and 1,4,8,11-tetraazacyclotetradecane, followed by reaction with N-(2-bromoethyl)phthalimide. This method is proven to be more efficient to prepare bifunctional chelating agents with aliphatic side arms in high yields, above 53%.

Paramagnetic Ligand Tagging to Identify Protein Binding Sites

Transient biomolecular interactions are the cornerstones of the cellular machinery. The identification of the binding sites for low affinity molecular encounters is essential for the development of high affinity pharmaceuticals from weakly binding leads b

Using the Ugi multicomponent condensation reaction to prepare families of chromophore appended azamacrocycles and their complexes

The Ugi reaction offers an effective method for preparing chromophore-appended DOTA-monoamide ligands, which can readily be elaborated to their lanthanide complexes. The Royal Society of Chemistry.

A convenient method for the preparation of mono N-alkylated cyclams and cyclens in high yields

Selective and high yield synthesis of mono N-substituted derivatives of cyclam and cyclen can be achieved by using a direct and general synthetic method with very mild reaction conditions.

Synthesis of conjugated diacetylene, metal-chelating monomers for polymerizable monolayer assemblies.

[see structure]. Self-assembled monolayers (SAMs) of thiols on gold have been used for numerous applications. For protein targeting applications, one successful strategy is to use a metal-chelating SAM. It has also been demonstrated that polymerized SAMs

A convenient, novel approach for the synthesis of polyaza macrocyclic bifunctional chelating agents

The convenient synthetically useful bifunctional chelating agents, (10-p-aminobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetate (p-ABz-DO3A) 3 and (11-p-aminobenzyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8-triacetate (p-ABz-TE3A) 6, were obtained by reaction of an ethyl bromoacetate with 1,4,7,10-tetraazacyclododecane and 1,4,8,11-tetraazacyclotetradecane followed by reaction with nitrobenzyl bromide. This method proved more efficient than any described in the literature since the overall yield in a two-step synthesis sequence starting from tetraazamacrocycles was 68%.