DO3A tert-Butyl ester

Modify Date: 2024-01-11 00:00:03

DO3A tert-Butyl ester Structure
DO3A tert-Butyl ester structure
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 N/A
MSDS N/A Flash Point 293.4±30.1 °C

 Use of DO3A tert-Butyl ester


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.

 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 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
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

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26

 Synthetic Route

~84%

DO3A tert-Butyl ester Structure

DO3A tert-Butyl...

CAS#:122555-91-3

Literature: Tetrahedron Letters, , vol. 54, # 8 p. 918 - 920

~35%

DO3A tert-Butyl ester Structure

DO3A tert-Butyl...

CAS#:122555-91-3

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 24 p. 7410 - 7413

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DO3A tert-Butyl ester Structure

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CAS#:122555-91-3

Detail
Literature: WO2005/32599 A1, ; Page/Page column 22-24; figure 12 ;

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DO3A tert-Butyl ester Structure

DO3A tert-Butyl...

CAS#:122555-91-3

Literature: WO2005/3105 A1, ; Page/Page column 6 ;

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DO3A tert-Butyl ester Structure

DO3A tert-Butyl...

CAS#:122555-91-3

Literature: Amino Acids, , vol. 46, # 2 p. 449 - 457

 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