tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate

Base Information

• Chemical Name: tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate
• CAS No.: 1402393-59-2
• Molecular Formula: C₃₂H₆₂N₆O₇
• Molecular Weight: 642.88

Synonyms:tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate

Chemical Property of tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate

Chemical Property:

• Boiling Point: 710.0±60.0 °C(Predicted)
• Density: 1.050±0.06 g/cm3(Predicted)

Purity/Quality:

95% ^*data from raw suppliers

4-Aminobutyl-DOTA-tris(t-butylester) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-Aminobutyl-DOTA-tris (t-butyl ester), is a bifunctional chelator.

Technology Process of tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate

There total 3 articles about tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate 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: 91.0%

tri-tert-butyl 2,2',2''-(10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (173308-18-4) + 1,4-diaminobutane (110-60-1) → tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate (1402393-59-2)

Guidance literature:

at 20 ℃; for 72h;

DOI:10.1002/chem.201200266

Reference yield:

1,4,7-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane (122555-91-3) → tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate (1402393-59-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 48 h / 55 °C / Large scale reaction

2: 72 h / 20 °C

With potassium carbonate; In acetonitrile;

DOI:10.1002/chem.201200266

Reference yield:

→ tri-tert-butyl 2,2’,2”-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-triyl)triacetate (1402393-59-2)

Guidance literature:

at 20 ℃; for 72h;

upstream raw materials:

tri-tert-butyl 2,2',2''-(10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

1,4-diaminobutane

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

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