Cas no 137145-75-6 (1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester)

1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester is a functionalized cyclen derivative widely used as a key intermediate in the synthesis of macrocyclic chelators, particularly for metal ion coordination. The tert-butyl ester group enhances solubility and stability, facilitating handling and further modifications. This compound is valuable in the development of contrast agents for MRI, radiopharmaceuticals, and other applications requiring precise metal-ligand interactions. Its rigid cyclen framework ensures high selectivity and binding affinity for transition metals and lanthanides. The protected carboxylic acid moiety allows controlled deprotection, enabling tailored functionalization for targeted applications in biomedical and materials chemistry.
1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester structure
137145-75-6 structure
Product Name:1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester
CAS No:137145-75-6
MF:C14H30N4O2
MW:286.413603305817
CID:1251391
PubChem ID:15187102
Update Time:2025-05-28

1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester
    • tert-butyl 2-(1,4,7,10-tetrazacyclododec-1-yl)acetate
    • G65288
    • YS38L5XM4E
    • tert-Butyl (1,4,7,10-tetraazacyclododecan-1-yl)acetate
    • TERT-BUTYL 2-(1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETATE
    • 1,1-Dimethylethyl 1,4,7,10-tetraazacyclododecane-1-acetate
    • SCHEMBL3415840
    • 1,4,7,10-Tetraazacyclododecane-1-acetic acid,1,1-dimethylethyl ester
    • 137145-75-6
    • CSKOCUPUEKOSOU-UHFFFAOYSA-N
    • UNII-YS38L5XM4E
    • DTXSID30569832
    • 1,4,7,10-tetraazacyclododecane-1-acetic acid (1,1dimethylethyl)ester
    • 1,4,7,10-tetraazacyclododecane-1-acetic acid (1,1-dimethylethyl) ester
    • Inchi： 1S/C14H30N4O2/c1-14(2,3)20-13(19)12-18-10-8-16-6-4-15-5-7-17-9-11-18/h15-17H,4-12H2,1-3H3
    • InChI Key： CSKOCUPUEKOSOU-UHFFFAOYSA-N
    • SMILES： O(C(CN1CCNCCNCCNCC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 286.23687621g/mol
  • Monoisotopic Mass: 286.23687621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 267
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 65.6?2

1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AD54653-50mg
1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester
 137145-75-6 98%
50mg
 $184.00 2024-04-20

1,4,7,10-Tetraazacyclododecane-1-acetic acid, 1,1-dimethylethyl ester Related Literature

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