16-[N⁴-(1-pyrenebutyryl)piperazin-N¹-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1⁽¹⁸⁾,14,16-triene

Base Information

• Chemical Name: 16-[N⁴-(1-pyrenebutyryl)piperazin-N¹-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1⁽¹⁸⁾,14,16-triene
• CAS No.: 221298-26-6
• Molecular Formula: C₅₆H₅₅N₉O₁₃S₃
• Molecular Weight: 1158.3

Synonyms:16-[N⁴-(1-pyrenebutyryl)piperazin-N¹-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1⁽¹⁸⁾,14,16-triene

Chemical Property of 16-[N⁴-(1-pyrenebutyryl)piperazin-N¹-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1⁽¹⁸⁾,14,16-triene

Chemical Property:

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Technology Process of 16-[N⁴-(1-pyrenebutyryl)piperazin-N¹-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1⁽¹⁸⁾,14,16-triene

There total 2 articles about 16-[N⁴-(1-pyrenebutyryl)piperazin-N¹-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1⁽¹⁸⁾,14,16-triene 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: 72.0%

1-pyrenebutyric acid (3443-45-6) + 16-piperazinyl-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1(18),14,16-triene (221298-21-1) → 16-[N4-(1-pyrenebutyryl)piperazin-N1-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1(18),14,16-triene (221298-26-6)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; acetonitrile; at 20 ℃; for 40h;

DOI:10.1002/jhet.5570370403

Reference yield:

4-[3,7,12-Tris-(2-nitro-benzenesulfonyl)-3,7,12,18-tetraaza-bicyclo[12.3.1]octadeca-1(17),14(18),15-trien-16-yl]-piperazine-1-carboxylic acid tert-butyl ester (215164-35-5) → 16-[N4-(1-pyrenebutyryl)piperazin-N1-yl]-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1(18),14,16-triene (221298-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / TFA / CH₂Cl₂ / 20 °C

2: 72 percent / DCC; HOBT; 4-methylmorpholine / dimethylformamide; acetonitrile / 40 h / 20 °C

With 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide; acetonitrile; 1: acidolysis / 2: Acylation;

DOI:10.1002/jhet.5570370403

upstream raw materials:

1-pyrenebutyric acid

16-piperazinyl-3,7,12-tris(2-nitrobenzenesulfonyl)-3,7,12,18-tetraazabicyclo[12.3.1]octadeca-1⁽¹⁸⁾,14,16-triene

4-[3,7,12-Tris-(2-nitro-benzenesulfonyl)-3,7,12,18-tetraaza-bicyclo[12.3.1]octadeca-1⁽¹⁷⁾,14⁽¹⁸⁾,15-trien-16-yl]-piperazine-1-carboxylic acid tert-butyl ester

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