tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Base Information

• Chemical Name: tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
• CAS No.: 1314043-20-3
• Molecular Formula: C₄₁H₆₉N₉O₈
• Molecular Weight: 816.054
• Mol file: 1314043-20-3.mol

Synonyms:tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Chemical Property of tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

There total 2 articles about tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 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: 39.0%

5-azidovaleric acid (79583-98-5) + C36H62N6O7 (1314043-18-9) → tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (1314043-20-3)

Guidance literature:

5-azidovaleric acid; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 0.0333333h;

C₃₆H₆₂N₆O₇; In N,N-dimethyl-formamide; for 1h;

DOI:10.1016/j.bmc.2010.12.047

Reference yield:

1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid (137076-54-1) → tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (1314043-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.03 h

1.2: 0.5 h

2.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.03 h

2.2: 1 h

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2010.12.047

Reference yield:

tert-butyl 2,2',2''-(10-(2-(4-((5-azidopentanamido)methyl)benzylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (1314043-20-3) + C55H70N10O13S2 → C96H139N19O21S2

Guidance literature:

With copper; copper(II) sulfate; In tetrahydrofuran; water; for 1h;

DOI:10.1016/j.bmc.2010.12.047

upstream raw materials:

5-azidovaleric acid

C₃₆H₆₂N₆O₇

1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid

Refernces