N₁-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide

Base Information

• Chemical Name: N₁-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide
• CAS No.: 253878-03-4
• Molecular Formula: C₅₈H₉₈N₆O₉
• Molecular Weight: 1023.45

Synonyms:N₁-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide

Chemical Property of N₁-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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Technology Process of N₁-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide

There total 5 articles about N₁-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide 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: 65.0%

3-(4-benzyloxy-phenyl)-2-butyrylamino-propionic acid 4-nitro-phenyl ester (125376-03-6) + N1,16,N23-tri(tert-butoxycarbonyl)-7-(3-aminopropyl)-7,16-diaza-1,22-docosanediamine (253878-02-3) → N1-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide (253878-03-4)

Guidance literature:

In methanol; at 20 ℃; for 1h;

DOI:10.1021/jm991110n

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → N1-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide (253878-03-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / CHCl₃

2: 90 percent / H₂; aq. NaOH / Raney-Ni / ethanol / 28 h / 20 °C / 775.72 Torr

3: 65 percent / methanol / 1 h / 20 °C

With sodium hydroxide; hydrogen; nickel; In methanol; ethanol; chloroform; 1: Acylation / 2: Reduction / 3: Condensation;

DOI:10.1021/jm991110n

Reference yield:

N,N'-bis(6-aminohexyl)-1,8-octanediamine (104807-24-1) → N1-{(1S)-2-{[3-((6-[tert-butoxycarbonyl]aminohexyl){8-[(6-[tert-butoxycarbonyl]aminohexyl)amino]octyl}amino)propyl]amino}-1-[4-(benzyloxy)benzyl]-2-oxoethyl}butanamide (253878-03-4)

Guidance literature:

Multi-step reaction with 4 steps

1: methanol / 8 h / 0 °C

2: 100 percent / CHCl₃

3: 90 percent / H₂; aq. NaOH / Raney-Ni / ethanol / 28 h / 20 °C / 775.72 Torr

4: 65 percent / methanol / 1 h / 20 °C

With sodium hydroxide; hydrogen; nickel; In methanol; ethanol; chloroform; 1: Addition / 2: Acylation / 3: Reduction / 4: Condensation;

DOI:10.1021/jm991110n

upstream raw materials:

3-(4-benzyloxy-phenyl)-2-butyrylamino-propionic acid 4-nitro-phenyl ester

N₁,16,N₂₃-tri(tert-butoxycarbonyl)-7-(3-aminopropyl)-7,16-diaza-1,22-docosanediamine

di-tert-butyl dicarbonate

N,N'-bis(6-aminohexyl)-1,8-octanediamine

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