2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid

Base Information

• Chemical Name: 2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid
• CAS No.: 1609936-62-0
• Molecular Formula: C₃₁H₅₄N₇O₉P
• Molecular Weight: 699.785

Synonyms:2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid

Chemical Property of 2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid

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Technology Process of 2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid

There total 5 articles about 2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic 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: 100.0%

C46H84N7O9P → 2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid (1609936-62-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 18h;

DOI:10.1021/ic5008928

Reference yield:

C35H56N5O7P → 2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid (1609936-62-0)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / acetonitrile / 16 h

2: palladium 10% on activated carbon; hydrogen / ethanol / 3 h / 760.05 Torr / Inert atmosphere

3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 18 h / 20 °C

4: trifluoroacetic acid / dichloromethane / 18 h

With palladium 10% on activated carbon; hydrogen; potassium carbonate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In ethanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/ic5008928

Reference yield:

di-tert-butyl 2,2'-[4-[3-(benzyloxy)-2-[[(benzyloxy)carbonyl]amino]-3-oxopropyl]-10-[(di-tert-butoxyphosphoryl)-methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl]diacetate → 2,2'-(4-(2-amino-3-((2-(2-(4-isobutylphenyl)propanamido)ethyl)amino)-3-oxopropyl)-10-(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid (1609936-62-0)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium 10% on activated carbon; hydrogen / ethanol / 3 h / 760.05 Torr / Inert atmosphere

2: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 18 h / 20 °C

3: trifluoroacetic acid / dichloromethane / 18 h

With palladium 10% on activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ic5008928

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