1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane

Base Information

• Chemical Name: 1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane
• CAS No.: 1301740-38-4
• Molecular Formula: C₃₅H₅₈N₆O₈
• Molecular Weight: 690.881
• Mol file: 1301740-38-4.mol

Synonyms:1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane

Chemical Property of 1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane

There total 5 articles about 1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane 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: 79.0%

1-(o-aminoxylyl)-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane (1301740-35-1) + N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine (152120-54-2,862686-58-6,1143572-00-2) → 1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane (1301740-38-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 48h;

DOI:10.1021/ic102301n

Reference yield:

O-(tert-butoxycarbonyl)hydroxylamine (86031-24-5) → 1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane (1301740-38-4)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / chloroform / 8 h / 20 °C

2: potassium carbonate; potassium iodide / acetonitrile / 72 h / Reflux

3: hydrazine hydrate / ethanol / 4 h / 50 °C

4: tetrahydrofuran / 48 h / 20 °C

With potassium carbonate; hydrazine hydrate; triethylamine; potassium iodide; In tetrahydrofuran; ethanol; chloroform; acetonitrile;

DOI:10.1021/ic102301n

Reference yield:

1-(o-phthalimidoxylyl)-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane (1301740-32-8) → 1-{o-[bis(tert-butoxycarbonyl)guanidino]xylyl}-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane (1301740-38-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 4 h / 50 °C

2: tetrahydrofuran / 48 h / 20 °C

With hydrazine hydrate; In tetrahydrofuran; ethanol;

DOI:10.1021/ic102301n

upstream raw materials:

1-(o-aminoxylyl)-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane

N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine

1-(o-phthalimidoxylyl)-4,7-bis(tert-butoxycarbonyl)-1,4,7-triazacyclononane

2-{[2-(bromomethyl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione