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122555-91-3

122555-91-3 structure
122555-91-3 structure
  • Name: DO3A tert-Butyl ester
  • Chemical Name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
  • CAS Number: 122555-91-3
  • Molecular Formula: C26H50N4O6
  • Molecular Weight: 514.698
  • Catalog: Research Areas Others
  • Create Date: 2018-11-11 02:26:23
  • Modify Date: 2024-01-11 00:00:03
  • 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.

Name tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
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
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

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

~84%

122555-91-3 structure

122555-91-3

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

~35%

122555-91-3 structure

122555-91-3

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

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122555-91-3 structure

122555-91-3

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

~76%

122555-91-3 structure

122555-91-3

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

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122555-91-3 structure

122555-91-3

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