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| | Tri-tert-butyl 1 4 7 10-tetraazacyclodod Basic information |
| Product Name: | Tri-tert-butyl 1 4 7 10-tetraazacyclodod | | Synonyms: | Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate
DOTA-tris(tBu)ester;2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(4,7,10-Tris-tert-butoxycarbonylmethyl-1,4,7,10tetraaza-cyclododec-1-yl)-acetic acid;Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate;DOTA-tris(tert-butyl ester) Novabiochem;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester;TRI-TERT-BUTYL 1,4,7,10-TETRAAZACYCLODODECANE-TETRAACETATE;2-(4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acet | | CAS: | 137076-54-1 | | MF: | C28H52N4O8 | | MW: | 572.73 | | EINECS: | | | Product Categories: | PDC Linker;RDC Linker | | Mol File: | 137076-54-1.mol |  |
| | Tri-tert-butyl 1 4 7 10-tetraazacyclodod Chemical 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) | | pka | 4.24±0.10(Predicted) | | form | Solid | | 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 |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | HS Code | 29339900 | | Storage Class | 11 - Combustible Solids |
| | Tri-tert-butyl 1 4 7 10-tetraazacyclodod Usage And Synthesis |
| 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. | | Uses | DOTA-tris (t-Bu ester), is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents. | | Uses | 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.
| | reaction suitability | reagent type: fluorescent-labelling reagent | | IC 50 | RDC Bifunctional Chelator |
| | Tri-tert-butyl 1 4 7 10-tetraazacyclodod Preparation Products And Raw materials |
| Raw materials | Potassium carbonate-->Triethylamine-->Bromoacetic acid-->Cyclen-->tert-Butyl bromoacetate | | Preparation Products | DOTA-mono-NHS tris(t-Bu ester)-->1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester-->(4,7-Bis-carboxymethyl-10-[(2-mercapto-ethylcarbamoyl)-methyl]-1,4,7,10tetraaza-cyclododec-1-yl)-acetic acid |
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