tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate

Base Information

• Chemical Name: tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
• CAS No.: 873784-01-1
• Molecular Formula: C₃₀H₄₇N₅O₁₀
• Molecular Weight: 637.731

Synonyms:tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate

Chemical Property of tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate

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Technology Process of tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate

There total 2 articles about tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate 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: 40.0%

trimethyl (4S,7S,10S)-α,α',α''-tetramethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-4,7,10-triacetate (873783-99-4) + bromoacetic acid methyl ester (96-32-2) → tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (873784-01-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 60 ℃; for 96h;

DOI:10.1039/b510778d

Reference yield:

2-(S)-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane (116052-94-9) → tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (873784-01-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / triethylamine / acetonitrile / 96 h / 20 °C

2: 40 percent / potassium carbonate / acetonitrile / 96 h / 60 °C

With potassium carbonate; triethylamine; In acetonitrile;

DOI:10.1039/b510778d

Reference yield: 82.0%

tetramethyl (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (873784-01-1) → (4S,7S,10S)-α,α',α''-trimethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 55 ℃; for 24h;

DOI:10.1039/b510778d

upstream raw materials:

trimethyl (4S,7S,10S)-α,α',α''-tetramethyl[(S)-2-(nitrobenzyl)]-1,4,7,10-tetraazacyclododecane-4,7,10-triacetate

bromoacetic acid methyl ester

2-(S)-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane

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