tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate

Base Information

• Chemical Name: tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate
• CAS No.: 1258945-99-1
• Molecular Formula: C₄₁H₆₉N₅O₁₀
• Molecular Weight: 792.026
• Mol file: 1258945-99-1.mol

Synonyms:tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate

Chemical Property of tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate

There total 18 articles about tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate 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: 94.0%

tert-butyl 2-{[2-(tert-butoxy)-2-oxoethyl][2-iodo-5-(4-nitrophenyl)pentyl]amino}acetate (1392222-48-8) + 1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazacyclononane (174137-97-4) → tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate (1258945-99-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20 ℃; for 40h; Temperature; Time;

Reference yield: 82.0%

di-tert-butyl 2,2'-(2-bromo-5-(4-nitrophenyl)pentylazanediyl)diacetate (1258945-71-9) + 1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazacyclononane (174137-97-4) → tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate (1258945-99-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 120h; regiospecific reaction;

DOI:10.1039/c0cc05707j

Reference yield: 30.0%

di-tert-butyl 2,2'-(2-bromo-5-(4-nitrophenyl)pentylazanediyl)diacetate (1258945-71-9) + 1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazacyclononane (174137-97-4) → {2-[3-(4-nitrophenyl)-propyl]-6-oxomorpholin-4-yl}acetic acid tert-butyl ester (1142811-97-9) + tert-butyl-2-[(1-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl}-5-[4-(hydroxyl-nitro)phenyl]-pentan-2-yl)[2-(tert-butoxy)-2-oxoethyl]amino]acetate (1258945-99-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; for 48h; Reflux;

DOI:10.1039/c0cc05707j

upstream raw materials:

2-Amino-5-(4-nitrophenyl)-pentan-1-ol

2-amino-5-(4-nitrophenyl)pentanoic acid methyl ester

[1-hydroxymethyl-4-(4-nitrophenyl)butyl]carbamic acid tert-butyl ester

[1-formyl-4-(4-nitrophenyl)butyl]carbamic acid tert-butyl ester

Downstream raw materials:

3p-C-NETA

{4-[2-(bis-carboxymethylamino)-5-(4-isothiocyanatophenyl) pentyl]-7-carboxymethyl-[1,4,7]triazonan-1-yl}acetic acid

{4-[5-(4-amino-phenyl)-2-bis(carboxymethyl)aminopentyl]-7-carboxymethyl-[1,4,7]triazo-nan-1-yl}acetic acid