Compound Q&A
How is 2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid (CAS: 147597-66-8) typically synthesized?
Answer
![2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid](https://static.chemtradehub.com/structs/147/147597-66-8-1a23.webp "2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid")
2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid is synthesized via a multi-step process involving the coupling of 1,4,7-triazonane-1,4,7-tris(acetic acid) with 4-isothiocyanatobenzyl chloride. The reaction is typically performed in the presence of a base such as triethylamine and a phase transfer catalyst. The yield is around 75%, and the product can be isolated by filtration and recrystallization.
About
CAS No
147597-66-8
English Name
2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid
Molecular Formula
C20H26N4O6S
Molecular Weight
450.51700000000017 g/mol
SMILES
C1CN(CC(N(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O
InChIKey
ABEIJMWLNYUWMD-UHFFFAOYSA-N
Last Updated: 2025-10-28 23:23
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