75061

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate

≥95.0% (CHN)

• Synonym(s): DOTA-tri-t-Bu-ester
• Empirical Formula (Hill Notation): C₂₈H₅₂N₄O₈
• CAS Number: 137076-54-1
• Molecular Weight: 572.73
• MDL number: MFCD02259697
• UNSPSC Code: 12352108
• PubChem Substance ID: 57652545
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥95.0% (CHN)
• form: lumps
• functional group: carboxylic acid; ester
• SMILES string: CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(O)=O
• InChI: 1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)
• InChI key: RVUXZXMKYMSWOM-UHFFFAOYSA-N

Description

Application

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (tri BOC-DOTA) can be employed as a reactant to prepare:

• Gadolinium ion functionalized with DOTA-LAE (lactobionic acid-ethylenediamine), which is used as a contrast agent for magnetic resonance imaging (MRI).
• DOTA-conjugates of ursolic acid and ZD₂ peptide ⁶⁴Cu-DOTA conjugates.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves