2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Base Information

Chemical Name:2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
CAS No.:1612753-25-9
Molecular Formula:C₂₈H₄₃N₇O₁₀
Molecular Weight:637.69
Hs Code.:

Synonyms:2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

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Chemical Property of 2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

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Technology Process of 2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

There total 11 articles about 2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-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: 100.0%

: 1612753-24-8
tri-tert-butyl 2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl) amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

: 1612753-25-9
2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: With hydrogenchloride; In methanol; water; at 0 - 22 ℃; for 18h;
DOI:10.1021/ic500282n

Reference yield:

: 5-((2-(1,4,7,10-tetraazacyclododecan-1-yl)acetamido)methyl)-2-methoxy-N¹,N³-dimethylisophthalamide trihydrochloride

: 1612753-25-9
2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate / acetonitrile / 18 h / 0 - 40 °C / Inert atmosphere

2: hydrogenchloride / methanol; water / 18 h / 0 - 22 °C

With hydrogenchloride; caesium carbonate; In methanol; water; acetonitrile;
DOI:10.1021/ic500282n

Reference yield:

: 40617-52-5
2,6-dicarboxylic acid-4-methylphenol

: 1612753-25-9
2,2',2''-(10-(2-((4-methoxy-3,5-bis(methylcarbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: Multi-step reaction with 10 steps

1.1: potassium carbonate / acetone / 16 h / 56 °C

2.1: methanol / 18 h / 65 °C

3.1: selenium(IV) oxide; naphthalene / 2.5 h / 85 - 215 °C / Inert atmosphere

4.1: hydroxylamine hydrochloride; pyridine / 24 h / 22 °C

5.1: hydrogenchloride; hydrogen; palladium 10% on activated carbon / ethanol; water / 16 h / 3750.38 Torr

6.1: triethylamine; silica gel / dichloromethane

7.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.25 h / 0 °C

7.2: 40 h / 0 - 22 °C

8.1: hydrogenchloride / methanol; water / 18 h / 0 - 22 °C

9.1: caesium carbonate / acetonitrile / 18 h / 0 - 40 °C / Inert atmosphere

10.1: hydrogenchloride / methanol; water / 18 h / 0 - 22 °C

With pyridine; hydrogenchloride; selenium(IV) oxide; naphthalene; palladium 10% on activated carbon; hydroxylamine hydrochloride; hydrogen; silica gel; potassium carbonate; caesium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; In methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetone; acetonitrile; 3.1: |Riley Selenium Dioxide Oxidation;
DOI:10.1021/ic500282n