N¹-benzyl-N⁴,N⁷,N¹⁰,N¹³,N¹⁶-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane

Base Information

• Chemical Name: N¹-benzyl-N⁴,N⁷,N¹⁰,N¹³,N¹⁶-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane
• CAS No.: 164913-22-8
• Molecular Formula: C₅₄H₆₆N₆O₁₀S₅
• Molecular Weight: 1119.48

Synonyms:N¹-benzyl-N⁴,N⁷,N¹⁰,N¹³,N¹⁶-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane

Chemical Property of N¹-benzyl-N⁴,N⁷,N¹⁰,N¹³,N¹⁶-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane

Chemical Property:

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Technology Process of N¹-benzyl-N⁴,N⁷,N¹⁰,N¹³,N¹⁶-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane

There total 4 articles about N¹-benzyl-N⁴,N⁷,N¹⁰,N¹³,N¹⁶-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane 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: 41.0%

O1,O11-dimesyl-N3,N6,N9-tritosyl-3,6,9-triaza-1,11-undecanediol (74461-30-6) + N3-benzyl-N1,N5-ditosyl-3-aza-1,5-pentanediamine (112193-79-0) → N1-benzyl-N4,N7,N10,N13,N16-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane (164913-22-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 96h;

DOI:10.1246/bcsj.73.693

Reference yield:

N-(2-bromo-ethyl)-4-methyl-benzenesulfonamide (4556-90-5) → N1-benzyl-N4,N7,N10,N13,N16-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane (164913-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / sodium hydrogen carbonate / acetonitrile / 96 h / 70 °C

2: 41 percent / potassium carbonate / dimethylformamide / 96 h / 20 °C

With sodium hydrogencarbonate; potassium carbonate; In N,N-dimethyl-formamide; acetonitrile; 1: Alkylation / 2: Cyclization;

DOI:10.1246/bcsj.73.693

Reference yield:

N3,N6,N9-tritosyl-3,6,9-triaza-1,11-undecanediol (74461-29-3) → N1-benzyl-N4,N7,N10,N13,N16-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane (164913-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / triethylamine / CH₂Cl₂ / 2 h / 20 °C

2: 41 percent / potassium carbonate / dimethylformamide / 96 h / 20 °C

With potassium carbonate; triethylamine; In dichloromethane; N,N-dimethyl-formamide; 1: mesylation / 2: Cyclization;

DOI:10.1246/bcsj.73.693

upstream raw materials:

O¹,O¹¹-dimesyl-N³,N⁶,N⁹-tritosyl-3,6,9-triaza-1,11-undecanediol

N³-benzyl-N¹,N⁵-ditosyl-3-aza-1,5-pentanediamine

N-(2-bromo-ethyl)-4-methyl-benzenesulfonamide

N³,N⁶,N⁹-tritosyl-3,6,9-triaza-1,11-undecanediol

Downstream raw materials:

N¹,N⁴,N⁷,N¹⁰,N¹³-pentatosyl-1,4,7,10,13,16-hexaazacyclooctadecane

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