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

Base Information

• Chemical Name: 1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane
• CAS No.: 266346-04-7
• Molecular Formula: C₂₇H₃₁N₅O₆S
• Molecular Weight: 553.639
• Mol file: 266346-04-7.mol

Synonyms:1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane

Chemical Property of 1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane

There total 1 articles about 1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane 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: 90.0%

1-(p-toluenesulfonyl)-1,4,7-triazacyclononane (129422-96-4) + 3-Nitrobenzyl chloride (619-23-8) → 1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane (266346-04-7)

Guidance literature:

With potassium carbonate; In acetonitrile; Heating;

DOI:10.1039/a909535g

Reference yield: 50.0%

1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane (266346-04-7) → 1,4-bis-(3-nitro-benzyl)-[1,4,7]triazonane (266346-05-8)

Guidance literature:

With sulfuric acid; at 150 ℃;

DOI:10.1039/a909535g

Reference yield:

1,4-bis-(3-nitro-benzyl)-7-(toluene-4-sulfonyl)-[1,4,7]triazonane (266346-04-7) → [4,7-bis-(3-{2-[4,7-bis-(3-nitro-benzyl)-[1,4,7]triazonan-1-yl]-acetylamino}-benzyl)-[1,4,7]triazonan-1-yl]-acetic acid butyl ester

Guidance literature:

Multi-step reaction with 4 steps

1: 50 percent / H₂SO₄ / 150 °C

2: 82 percent / K₂CO₃ / acetonitrile / Heating

3: 80 percent / formic acid / Heating

4: EDC; HOBt / dimethylformamide / 20 °C

With formic acid; sulfuric acid; potassium carbonate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide; acetonitrile; 1: Substitution / 2: Alkylation / 3: Hydrolysis / 4: Acylation;

DOI:10.1039/a909535g

upstream raw materials:

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

3-Nitrobenzyl chloride

Downstream raw materials:

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

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

[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 butyl ester