CAS Number122555-91-3
SynonymsDO3A-t-Bu-ester; 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, tris(1,1-dimethylethyl) ester; 1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane; DO3A-tris-tbutyl ester; 1,4,7,10-tetraazacyclododecane-1,4,7-tris(t-butyl acetate); TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA; DO3AtBu; 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic Acid Tri-tert-butyl Ester; Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate; N',N",N'"-tris(t-Bu)DO3A; 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid tri-tert-butyl ester; MFCD05865261; 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid tris(1,1-dimethylethyl) ester; DO3A-tris-tert-butyl ester; Tris(2-methyl-2-propanyl) 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate; Tri-tert-butyl 2,2',2''-
Molecular FormulaC26H50N4O6
Molecular Weight514.698
Purity98%%
Density1.0±0.1 g/cm3
Boiling Point561.6±50.0 °C at 760 mmHg
AppearanceWhite to light yellow powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 122555-91-3 |
| Catalog No. | 2A-1170033 |
| Chinese Name | DO3A叔丁酯 |
| Synonyms | DO3A-t-Bu-ester; 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, tris(1,1-dimethylethyl) ester; 1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane; DO3A-tris-tbutyl ester; 1,4,7,10-tetraazacyclododecane-1,4,7-tris(t-butyl acetate); TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA; DO3AtBu; 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic Acid Tri-tert-butyl Ester; Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate; N',N",N'"-tris(t-Bu)DO3A; 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid tri-tert-butyl ester; MFCD05865261; 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid tris(1,1-dimethylethyl) ester; DO3A-tris-tert-butyl ester; Tris(2-methyl-2-propanyl) 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate; Tri-tert-butyl 2,2',2''- |
| Molecular Formula | C26H50N4O6 |
| Molecular Weight | 514.698 |
| Purity | 98% |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 561.6±50.0 °C at 760 mmHg |
| Appearance | White to light yellow powder |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| Application | DOTA tert-Butyl ester is a cyclic tosamide benzyl derivative. |
| PubChem ID | 16321601 |
| SMILES | CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1 |
| InChI | InChI=1S/C26H50N4O6/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9/h27H,10-20H2,1-9H3 |
| InChI Key | NMHVTLJFPDOJOD-UHFFFAOYSA-N |
| Bioactivity | DOTA tert-Butyl ester is a benxyl derivative of the cyclic tosamide; can be nitrated directly; is more convenient to incorporate the nitro group after deprotection lithium aluminum hydride. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others References [1]. Martha L Gilbert, et al. A new synthetic route to 2-(p-nitrobenzyl)-1,4,7,10-tetraazacyclododecane. doi:10.1016/S0040-4039(00)73873-1 Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 561.6±50.0 °C at 760 mmHg Molecular Formula C26H50N4O6 Molecular Weight 514.698 Flash Point 293.4±30.1 °C Exact Mass 514.373047 PSA 100.65000 LogP 4.21 Vapour Pressure 0.0±1.5 mmHg at 25°C Index of Refraction 1.467 InChIKey NMHVTLJFPDOJOD-UHFFFAOYSA-N SMILES CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1 |
| Use of | DOTA tert-Butyl ester is a benxyl derivative of the cyclic tosamide; can be nitrated directly; is more convenient to incorporate the nitro group after deprotection lithium aluminum hydride. Properties Name tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate Synonym More Synonyms DO3A tert-Butyl ester Biological Activity Description DOTA tert-Butyl ester is a benxyl derivative of the cyclic tosamide; can be nitrated directly; is more convenient to incorporate the nitro group after deprotection lithium aluminum hydride. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others References Chemical & Physical Properties Molecular Formula C26H50N4O6 Exact Mass 514.373047 PSA 100.65000 Index of Refraction 1.467 InChIKey NMHVTLJFPDOJOD-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 93.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards Modification number: 5 Module 14. Shipping information UN number: not specified |
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