1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate

Base Information

• Chemical Name: 1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
• CAS No.: 1258945-87-7
• Molecular Formula: C₃₇H₆₂N₆O₁₀
• Molecular Weight: 750.933
• Mol file: 1258945-87-7.mol

Synonyms:1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate

Chemical Property of 1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate

There total 2 articles about 1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate 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: 85.0%

tert-butyl N-[1-(4-nitrophenyl)-3-oxopropan-2-yl]carbamate (1258945-86-6) + 1,4,7-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane (175854-39-4) → 1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (1258945-87-7)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2011.06.107

Reference yield:

tert-butyl (1-hydroxy-3-(4-nitrophenyl)propan-2-yl)carbamate (183669-13-8) → 1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (1258945-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 1.92 - 2 h / -60 °C

1.2: 0.5 h / -60 °C

2.1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 18.2 h / 0 - 20 °C

With oxalyl dichloride; sodium tris(acetoxy)borohydride; dimethyl sulfoxide; In dichloromethane; 1,2-dichloro-ethane; 1.1: |Swern Oxidation / 1.2: |Swern Oxidation;

Reference yield: 93.0%

1,4,7-tri-tert-butyl 10-(2-{[(tert-butoxy)carbonyl]amino}-3-[4-(nitro)phenyl]propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (1258945-87-7) → 1-(4-nitrophenyl)-3-(1,4,7,10-tetraazacyclododecan-1-yl)propan-2-amine pentachloride

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; Cooling with ice;

upstream raw materials:

tert-butyl N-[1-(4-nitrophenyl)-3-oxopropan-2-yl]carbamate

1,4,7-tris(tert-butyloxycarbonyl)-1,4,7,10-tetraazacyclododecane

tert-butyl (1-hydroxy-3-(4-nitrophenyl)propan-2-yl)carbamate