| Identification | Back Directory | [Name]
TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD | [CAS]
137076-54-1 | [Synonyms]
TA-DOTA
DOTA-(COOt-Bu)3
NH2-PEG4-DOTA-GA
DOTA-tris(t-Bu ester)
DOTA-tri(t-butyl ester)
DOTA-tris(t-Butyl ester)
DOTA-tris (t-Bu ester) (~90%)
DOTA-tris (t-Bu ester)(B-260)
DOTA-tris(tert-butyl ester) Novabiochem
TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD USP/EP/BP
TRI-TERT-BUTYL 1,4,7,10-TETRAAZACYCLODODECANE-TETRAACETATE
1,4,7 -Boc-1,4,7,10- tetraazacyclododecane Cyclododecane -10- acid
Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate
1,4,7,10-Tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-acetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester
S-2-(4-Isothiocyanatobenzyl)-1, 4, 7, 10-tetraazacyclododecane tetraacetic acid
2-(4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acet
(4,7,10-Tris-tert-butoxycarbonylmethyl-1,4,7,10tetraaza-cyclododec-1-yl)-acetic acid
2-[4,7,10-tris(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-diMethylethyl) ester
2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID
Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate
DOTA-tris(tBu)ester
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester
2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | [Molecular Formula]
C28H52N4O8 | [MDL Number]
MFCD02259697 | [MOL File]
137076-54-1.mol | [Molecular Weight]
572.734 |
| Chemical Properties | Back Directory | [Melting point ]
129-131℃ | [Boiling point ]
632.1±55.0 °C(Predicted) | [density ]
1.079 | [storage temp. ]
Store at +2°C to +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 |
| Raw materials And Preparation Products | Back Directory | [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 |
| Hazard Information | Back Directory | [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. | [storage]
4°C, protect from light, stored under nitrogen |
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