TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
- CAS NO.：137076-54-1
- Empirical Formula: C28H52N4O8
- Molecular Weight: 572.73
- MDL number: MFCD02259697
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-28 23:16:16
What is TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD?
Description
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.
The Uses of TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
DOTA-tris (t-Bu ester), is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents.
The Uses of TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
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.
Properties of TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
| 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 (Slight |
| 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) |
| CAS DataBase Reference | 137076-54-1 |
Safety information for TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
| 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 |
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