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
• Mol file: 1612753-25-9.mol

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

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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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%

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 (1612753-24-8) → 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 (1612753-25-9)

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 → 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 (1612753-25-9)

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:

2,6-dicarboxylic acid-4-methylphenol (40617-52-5) → 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 (1612753-25-9)

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

upstream raw materials:

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

2,6-dicarboxylic acid-4-methylphenol

dimethyl 2-methoxy-5-methylisophthalate

2,6-bis(hydroxymethyl)-4-methylphenol

Downstream raw materials:

C₂₈H₄₀N₇O₁₀Tb