N⁽¹²⁾-benzyloxycarbonyl-N⁽¹⁾-[N-(N⁽⁴⁾-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine

Base Information

• Chemical Name: N⁽¹²⁾-benzyloxycarbonyl-N⁽¹⁾-[N-(N⁽⁴⁾-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine
• CAS No.: 1118119-16-6
• Molecular Formula: C₄₇H₆₁N₉O₁₇S₃
• Molecular Weight: 1120.25

Synonyms:

Chemical Property of N⁽¹²⁾-benzyloxycarbonyl-N⁽¹⁾-[N-(N⁽⁴⁾-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N⁽¹²⁾-benzyloxycarbonyl-N⁽¹⁾-[N-(N⁽⁴⁾-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine

There total 2 articles about N⁽¹²⁾-benzyloxycarbonyl-N⁽¹⁾-[N-(N⁽⁴⁾-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine 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:

N-(4-((tert-butoxycarbonyl)amino)butyl)-N-(o-nitrobenzenesulfonyl)glycine (1118119-28-0) + C30H38N6O10S2 (1278496-12-0) → N(12)-benzyloxycarbonyl-N(1)-[N-(N(4)-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine (1118119-16-6)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 20h;

DOI:10.1016/j.bmc.2008.11.029

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → N(12)-benzyloxycarbonyl-N(1)-[N-(N(4)-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine (1118119-16-6)

Guidance literature:

Multi-step reaction with 6 steps

1.1: methanol / 24.58 h / 0 - 20 °C

1.2: 1 h

2.1: triethylamine / dichloromethane / 0 - 20 °C

3.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 60 °C / Inert atmosphere

4.1: potassium carbonate / N,N-dimethyl-formamide / 23 h / 60 °C / Inert atmosphere

5.1: hydrogenchloride / ethyl acetate / 1 h / 20 °C

6.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 20 h / 20 °C

With hydrogenchloride; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2008.11.029

Reference yield:

N(12)-benzyloxycarbonyl-N(1)-[N-(N(4)-tert-butoxycarbonyl-4-aminobutyl)-N-(2-nitrobenzenesulfonyl)glycyl]-4,8-di(2-nitrobenzenesulfonyl)-4,8-diaza-1,12-dodecanediamine (1118119-16-6) → C29H52N6O5

Guidance literature:

With caesium carbonate; thiophenol; In acetonitrile; at 20 ℃; for 15.5h;

DOI:10.1016/j.bmc.2008.11.029

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

N-(4-((tert-butoxycarbonyl)amino)butyl)-N-(o-nitrobenzenesulfonyl)glycine

C₃₀H₃₈N₆O₁₀S₂

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