1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[[4-(bromomethyl)phenyl]methyl]-, tris(1,1-dimethylethyl) ester

Base Information

• Chemical Name: 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[[4-(bromomethyl)phenyl]methyl]-, tris(1,1-dimethylethyl) ester
• CAS No.: 257280-68-5
• Molecular Formula: C31H51BrN4O6
• Molecular Weight: 655.673
• Mol file: 257280-68-5.mol

Synonyms:

Chemical Property of 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[[4-(bromomethyl)phenyl]methyl]-, tris(1,1-dimethylethyl) ester

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[[4-(bromomethyl)phenyl]methyl]-, tris(1,1-dimethylethyl) ester

There total 1 articles about 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 10-[[4-(bromomethyl)phenyl]methyl]-, tris(1,1-dimethylethyl) ester 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: 68.9%

1,4-bis(bromomethyl)benzene (623-24-5) + 1,4,7-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane (175854-39-4) → 1-bromomethyl-4-(4,7,10-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane-1-ylmethyl)benzene (257280-68-5)

Guidance literature:

With sodium carbonate; In acetonitrile; at 80 ℃; for 72h;

DOI:10.1016/j.bmc.2006.04.048

Reference yield: 89.9%

benzoimidazole (51-17-2,79351-71-6) + 1-bromomethyl-4-(4,7,10-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane-1-ylmethyl)benzene (257280-68-5) → 1,4,7-tri-tert-butyl 10-(4-((1H-benzo[d]imidazol-1-yl)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (1253180-42-5)

Guidance literature:

benzoimidazole; With sodium hydride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

1-bromomethyl-4-(4,7,10-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane-1-ylmethyl)benzene; In tetrahydrofuran; for 48h; Reflux; Inert atmosphere;

DOI:10.3184/174751914X13894363997018

Reference yield: 85.6%

bis(benzimidazol-2-ylmethyl)amine (89505-04-4) + 1-bromomethyl-4-(4,7,10-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane-1-ylmethyl)benzene (257280-68-5) → 1,4,7-tri-tert-butyl 10-(4-((bis((1H-benzo[d]imidazol-2-yl)methyl)amino)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; for 48h; Reflux;

DOI:10.1016/j.ejmech.2014.07.075

upstream raw materials:

1,4-bis(bromomethyl)benzene

1,4,7-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

Downstream raw materials:

1-[4'-(1''-uracilmethyl)benzyl]-4,7,10-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

Br^(1-)*C₆₃H₁₀₁N₆O₈⁽¹⁺⁾

Br^(1-)*C₆₃H₉₇N₆O₁₀⁽¹⁺⁾

C₆₄H₁₀₄N₅O₁₀⁽¹⁺⁾

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