Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate Hydrobromide

• CAT Number: R052762
• CAS Number: 149353-23-1
• Molecular Formula: C26H51BrN4O6
• Molecular Weight: 595.62
• Purity: ≥95%
• Synonyms: 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic Acid 1,4,7-Tris(1,1-dimethylethyl) Ester Hydrobromide, 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic Acid Tris(1,1-dimethylethyl) Ester Monohydrobromide, Tri-tert-butyl 1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane Hydrobromide
• Storage: -20°C
• IUPAC Name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydrobromide
• InChI: InChI=1S/C26H50N4O6.BrH/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9;/h27H,10-20H2,1-9H3;1H
• InChIKey: GMECCVFSBLSIKE-UHFFFAOYSA-N
• SMILES: CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.Br

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate hydrobromide is a complex organic compound used in coordination chemistry and molecular research. This macrocyclic ligand features a tetraazacyclododecane core with three acetyl groups and tert-butyl protective groups, enhancing its stability and solubility. It forms stable complexes with metal ions, making it valuable for applications in catalysis, magnetic resonance imaging (MRI) contrast agents, and as a chelating agent in various biochemical studies. Its hydrobromide form improves its handling and solubility in aqueous solutions.