1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea

Base Information

• Chemical Name: 1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea
• CAS No.: 876752-35-1
• Molecular Formula: C₅₀H₅₂N₁₀O₁₀
• Molecular Weight: 953.024
• Mol file: 876752-35-1.mol

Synonyms:1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea

Chemical Property of 1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea

There total 4 articles about 1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea 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: 69.0%

Hexamethylene diisocyanate (822-06-0,28182-81-2,28574-90-5,88357-62-4) + bis(2-nitrobenzyl)(2-aminobenzyl)amine (693788-57-7) → 1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea (876752-35-1)

Guidance literature:

In chloroform; at 100 ℃; for 30h;

DOI:10.1002/chem.200500021

Reference yield:

o-nitrobenzyl iodide (29872-21-7) → 1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea (876752-35-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 93 percent / Na₂CO₃ / acetonitrile / 24 h / Heating

2.1: PMe₃ / toluene; tetrahydrofuran / 0.5 h / 0 °C

2.2: 90 percent / H₂O / toluene; tetrahydrofuran / 20 h / 20 °C

3.1: 69 percent / CHCl₃ / 30 h / 100 °C

With sodium carbonate; trimethylphosphane; In tetrahydrofuran; chloroform; toluene; acetonitrile;

DOI:10.1002/chem.200500021

Reference yield:

2-azidobenzylamine (96308-13-3) → 1-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-nitrobenzyl)amino]methyl}phenyl}ureido}hexyl}urea (876752-35-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 93 percent / Na₂CO₃ / acetonitrile / 24 h / Heating

2.1: PMe₃ / toluene; tetrahydrofuran / 0.5 h / 0 °C

2.2: 90 percent / H₂O / toluene; tetrahydrofuran / 20 h / 20 °C

3.1: 69 percent / CHCl₃ / 30 h / 100 °C

With sodium carbonate; trimethylphosphane; In tetrahydrofuran; chloroform; toluene; acetonitrile;

DOI:10.1002/chem.200500021

upstream raw materials:

Hexamethylene diisocyanate

bis(2-nitrobenzyl)(2-aminobenzyl)amine

o-nitrobenzyl iodide

2-azidobenzylamine

Downstream raw materials:

1-{2-{[bis(2-aminobenzyl)amino]methyl}phenyl}-3-{6-{3-{2-{[bis(2-aminobenzyl)amino]methyl}phenyl}ureido}hexyl}urea