1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR

Base Information

• Chemical Name: 1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR
• CAS No.: 114873-37-9
• Molecular Formula: C14H26 N4 O6
• Molecular Weight: 346.38
• Mol file: 114873-37-9.mol

Synonyms:1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane;DO 3A

Chemical Property of 1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR

Chemical Property:

• Melting Point: 260℃
• Boiling Point: 617.6±55.0 °C(Predicted)
• PKA: 2.46±0.10(Predicted)
• PSA: 133.65000
• Density: 1.242±0.06 g/cm3(Predicted)
• LogP: -2.10810

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: DONA combines with lanthanides to from lanthanide-azacrown coordination complexes. Also it is reported that DONA can be used as potential contrast agents for magnetic resonance imaging (MRI). This compound can be used to target, treat and diagnose tumors.

Technology Process of 1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR

There total 14 articles about 1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUUR which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.1%

2a,4a,8a-tris(carboxymethyl)-1,2,2a,2a1,3,4,4a,5,6,7,8,8a-dodecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthene-2a,4a,6a,8a-tetranium monobromotriodide → 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid (114873-37-9)

Guidance literature:

With potassium hydroxide; In water; at 30 - 90 ℃; for 7h; pH=9 - 14;

Reference yield: 93.5%

2a,4a,8a-tris(tert-butoxycarbonylmethyl)-1,2,2a,2a1,3,4,4a,5,6,7,8,8a-dodecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthene-2a,4a,6a,8a-tetranium monomethanesulfonic acid tribromide → 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid (114873-37-9)

Guidance literature:

With potassium hydroxide; In water; at 80 - 100 ℃; for 6h; pH=9 - 14;

Reference yield: 92.7%

2a,4a,8a-tris(ethoxycarbonylmethyl)-1,2,2a,2a1,3,4,4a,5,6,7,8,8a-dodecahydro-2a,4a,6a,8a-tetrazacyclopenta[fg]acenaphthene-2a,4a,6a,8a-tetranium-p-toluenesulfonic acid trichloride → 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid (114873-37-9)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 6h; pH=9 - 14;

upstream raw materials:

bromoacetic acid

1,4,7,10-tetraazacyclododecan

chloroacetic acid

1,4,7-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane

Downstream raw materials:

10-[5-(2-Carboxyphenyl)-2-hydroxy-5-oxo-4-aza-pentyl]-1,4,7-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane

10-[2-Hydroxy-3-(4-(2-carboxyethyl)-phenoxy)-propyl]-1,4,7-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane

10-[2-Hydroxy-3-(4-(carboxymethyl)-phenoxy)propyl]-1,4,7-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane

10-[2-Hydroxy-3-(4-(carboxy)-cyclohexyloxy)-propyl]-1,4,7-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane

Refernces

• 1、 Nithyakumar,Alexander. "Tri- and tetranuclear RuII-Gd III 2 and RuII-Gd III 3 d-f heterometallic complexes as potential bimodal imaging probes for MRI and optical imaging". . p. 4606 - 4616. Retrieved 2016.
• 2、 James Ratnakar,Arockia Samy,Alexander. "A new potential contrast agent for magnetic resonance imaging: Synthesis and relaxivity studies of a gadolinium(III) complex of glucose-6-phosphate conjugated 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid". . p. 1 - 6. Retrieved 2012.
• 3、 Oktaviani, Nur Alia,Ris?r, Michael W.,Lee, Young-Ho,Megens, Rik P.,De Jong, Djurre H.,Otten, Renee,Scheek, Ruud M.,Enghild, Jan J.,Nielsen, Niels Chr.,Ikegami, Takahisa,Mulder, Frans A. A.. "Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide". . p. 129 - 142. Retrieved 2015.
• 4、 -. "NOVEL PROCESS FOR THE PREPARATION OF MACROCYCLIC CHELANT 2,2',2''-(10-(2-HYDROXYPROPYL)-1,4,7,10-TETRA AZACYCLODODECANE-1,4,7-TRIYL) TRIACETIC ACID AND IT'S COMPLEXES WITH PARAMAGNETIC METAL IONS". Page/Page column 19. . Retrieved 2020/06/10.
• 5、 Procházková, Soňa,Kubí?ek, Vojtěch,Kotek, Jan,Vágner, Adrienn,Notni, Johannes,Hermann, Petr. "Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: Effects of the substituents on the formation rate and radiolabelling yield". . p. 13006 - 13015. Retrieved 2018/10/15.