4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid

Base Information

• Chemical Name: 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid
• CAS No.: 1185250-97-8
• Molecular Formula: C₂₂H₄₀N₈O₂
• Molecular Weight: 448.612
• Mol file: 1185250-97-8.mol

Synonyms:4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid

Chemical Property of 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid

There total 3 articles about 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid 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: 88.0%

[copper(II)(3,6,10,13,16,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine(-H)-p-carboxybenzyl)](chloride)2 → 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid (1185250-97-8)

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; sodium hydroxide; In water; at 23 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c3dt51199e

Reference yield: 80.2%

methyl 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoate (1185250-96-7) → 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid (1185250-97-8)

Guidance literature:

With sodium hydroxide; In methanol; for 5h; Reflux;

DOI:10.1039/b902210d

Reference yield:

diamsar (91002-72-1) → 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoic acid (1185250-97-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: ethanol

2.1: sodium hydroxide / water; ethanol / 0.5 h / 23 °C / pH 4.5 / Inert atmosphere

2.2: 12 h

3.1: palladium on activated charcoal; sodium hydroxide; sodium tetrahydroborate / water / 0.5 h / 23 °C / Inert atmosphere

With sodium tetrahydroborate; palladium on activated charcoal; sodium hydroxide; In ethanol; water;

DOI:10.1039/c3dt51199e

upstream raw materials:

methyl 4-((8-amino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1-ylamino)methyl)benzoate

diamsar

Downstream raw materials:

C₄₉H₇₉N₁₇O₉