2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Base Information

• Chemical Name: 2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
• CAS No.: 1619224-45-1
• Molecular Formula: C₃₀H₄₄N₆O₁₃
• Molecular Weight: 696.712
• Mol file: 1619224-45-1.mol

Synonyms:2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Chemical Property of 2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

There total 6 articles about 2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid 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: 85.2%

C50H84N6O13 → 2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid (1619224-45-1)

Guidance literature:

With trifluoroacetic acid; at 0 - 20 ℃; for 14h;

DOI:10.1016/j.ejmech.2014.05.046

Reference yield:

methyl (2S)-2-amino-3-phenylpropanoate (2577-90-4) → 2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid (1619224-45-1)

Guidance literature:

Multi-step reaction with 6 steps

1.1: sulfuric acid; nitric acid / 1 h / 0 °C

2.1: potassium carbonate / acetonitrile / 0.5 h / Inert atmosphere

2.2: 18 h / Inert atmosphere; Reflux

3.1: palladium 10% on activated carbon; hydrogen / ethanol / 20 °C / Inert atmosphere

4.1: triethylamine / acetone / 0.25 h / 0 °C / Inert atmosphere

4.2: 0 °C / Inert atmosphere

5.1: potassium carbonate / acetonitrile / 0.5 h / Inert atmosphere

5.2: 18 h / Inert atmosphere; Reflux

6.1: trifluoroacetic acid / 14 h / 0 - 20 °C

With sulfuric acid; palladium 10% on activated carbon; hydrogen; nitric acid; potassium carbonate; triethylamine; trifluoroacetic acid; In ethanol; acetone; acetonitrile;

DOI:10.1016/j.ejmech.2014.05.046

Reference yield:

C22H34N2O6 → 2,2',2''-(10-(2-(4-(2-(bis(carboxymethyl)amino)-3-methoxy-3-oxopropyl)phenylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid (1619224-45-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine / acetone / 0.25 h / 0 °C / Inert atmosphere

1.2: 0 °C / Inert atmosphere

2.1: potassium carbonate / acetonitrile / 0.5 h / Inert atmosphere

2.2: 18 h / Inert atmosphere; Reflux

3.1: trifluoroacetic acid / 14 h / 0 - 20 °C

With potassium carbonate; triethylamine; trifluoroacetic acid; In acetone; acetonitrile;

DOI:10.1016/j.ejmech.2014.05.046

upstream raw materials:

methyl (2S)-2-amino-3-phenylpropanoate

(L)-p-Nitrophenylalanine methyl ester

(S)-2-(bis-tert-butoxycarbonylmethyl-amino)-3-(4-nitrophenyl)propionic acid methyl ester