CAS 122555-91-3|DO3A tert-Butyl ester
Introduction：Basic information about CAS 122555-91-3|DO3A tert-Butyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | DO3A tert-Butyl ester | ||
|---|---|---|---|
| CAS Number | 122555-91-3 | Molecular Weight | 514.698 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 561.6±50.0 °C at 760 mmHg |
| Molecular Formula | C26H50N4O6 | Melting Point | / |
| MSDS | / | Flash Point | 293.4±30.1 °C |
Names
| 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 BiologicalActivity
| 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 >>OthersResearch 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 |
Safety Information
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26 |
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''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate |
| tert-butyl (1,4,7,10-tetraaza-4,7-bis(((tert-butyl)oxycarbonyl)methyl)cyclododecyl)acetate |
| DO3A tert-Butyl ester |
