2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid , 97% , 137076-54-1

CAS NO.：137076-54-1

Empirical Formula: C28H52N4O8

Molecular Weight: 572.73

MDL number: MFCD02259697

PRODUCT Properties

• Melting point: 129-131℃
• Boiling point: 632.1±55.0 °C(Predicted)
• Density: 1.079
• storage temp.: Inert atmosphere,2-8°C
• solubility: Aqueous Base (Slightly), Chloroform (Slightly), DMSO (Slightly),Methanol(Slightly)
• form: Solid
• pka: 4.24±0.10(Predicted)
• color: Pale Beige
• InChI: 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)
• InChIKey: RVUXZXMKYMSWOM-UHFFFAOYSA-N
• SMILES: N1(CC(OC(C)(C)C)=O)CCN(CC(O)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
• CAS DataBase Reference: 137076-54-1

Description and Uses

DOTA(OtBu)3 contains a DOTA moiety with t-butyl groups which can be used as a chelating agent for cations and is commonly used for imaging diagnostics. The t-butyl protected carboxyl group can be deprotected under acidic conditions.

DOTA-tris (t-Bu ester), is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P280-P304+P340-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• HS Code: 29339900