1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

• CAT Number: M020824
• CAS Number: 114873-52-8
• Molecular Formula: C20H38N4O6
• Molecular Weight: 430.546
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: ethyl 2-[4,7-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
• InChI: InChI=1S/C20H38N4O6/c1-4-28-18(25)15-22-9-7-21-8-10-23(16-19(26)29-5-2)12-14-24(13-11-22)17-20(27)30-6-3/h21H,4-17H2,1-3H3
• InChIKey: BPEUICGMDOXPJJ-UHFFFAOYSA-N
• SMILES: CCOC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OCC)CC(=O)OCC

1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane is a macrocyclic ligand with a tetraazacyclododecane backbone, where three ethoxycarbonylmethyl groups are attached at the 1, 4, and 7 positions. The compound’s structure provides a highly flexible and functional framework, with the ethoxycarbonylmethyl groups enhancing solubility and stability. It is used in coordination chemistry, particularly in forming stable complexes with metal ions. Its ability to form chelates makes it useful in fields like bioinorganic chemistry, catalysis, and drug delivery systems, especially in imaging and therapeutic applications.