[4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester

Base Information

• Chemical Name: [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester
• CAS No.: 266346-06-9
• Molecular Formula: C₂₆H₃₅N₅O₆
• Molecular Weight: 513.594

Synonyms:[4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester

Chemical Property of [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester

Chemical Property:

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Technology Process of [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester

There total 4 articles about [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester 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: 82.0%

n-butyl bromoacetate (18991-98-5) + 1,4-bis-(3-nitro-benzyl)-[1,4,7]triazonane (266346-05-8) → [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester (266346-06-9)

Guidance literature:

With potassium carbonate; In acetonitrile; Heating;

DOI:10.1039/a909535g

Reference yield:

1-(p-toluenesulfonyl)-1,4,7-triazacyclononane (129422-96-4) → [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester (266346-06-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / K₂CO₃ / acetonitrile / Heating

2: 50 percent / H₂SO₄ / 150 °C

3: 82 percent / K₂CO₃ / acetonitrile / Heating

With sulfuric acid; potassium carbonate; In acetonitrile; 1: Alkylation / 2: Substitution / 3: Alkylation;

DOI:10.1039/a909535g

Reference yield:

3-Nitrobenzyl chloride (619-23-8) → [4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester (266346-06-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / K₂CO₃ / acetonitrile / Heating

2: 50 percent / H₂SO₄ / 150 °C

3: 82 percent / K₂CO₃ / acetonitrile / Heating

With sulfuric acid; potassium carbonate; In acetonitrile; 1: Alkylation / 2: Substitution / 3: Alkylation;

DOI:10.1039/a909535g

upstream raw materials:

n-butyl bromoacetate

1,4-bis-(3-nitro-benzyl)-[1,4,7]triazonane

1-(p-toluenesulfonyl)-1,4,7-triazacyclononane

3-Nitrobenzyl chloride

Downstream raw materials:

[4,7-bis-(3-amino-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester

[4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid

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