| Identification | Back Directory | [Name]
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane | [CAS]
162148-48-3 | [Synonyms]
DO2AtBu
NSC 696842
DO-(CH2COOt-Bu)2
DO2A-tert-butyl ester
DO2A-t-Bu-ester(M-120)
1,4,7,10-Tetraazacyclododecane-1,7-bis(t-butyl acetate)
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclodod
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
Di-tert-butyl 2,2'-(1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetate
di-tert-butyl 2,2'-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate
1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, bis(1,1-diMethylethyl) ester
Thulium(Ill)1, 4, 7, 10-Tetraazacyclododecane-1, 4, 7, 10-tetra(methylenephosphonate
(7-tert-butoxycarbonylmethyl-1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid tert-butyl ester
Tert-butyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate | [Molecular Formula]
C20H40N4O4 | [MDL Number]
MFCD09263303 | [MOL File]
162148-48-3.mol | [Molecular Weight]
400.56 |
| Chemical Properties | Back Directory | [Boiling point ]
488.6±45.0 °C(Predicted) | [density ]
0.998±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [solubility ]
soluble in Chloroform, Dichloromethane, Diethyl Ether | [form ]
Solid | [pka]
9.83±0.20(Predicted) | [color ]
Pale-Yellow | [Water Solubility ]
Soluble in acetone, acetonitrile, ethyl Acetate, chloroforme, cyclohexane. Insoluble in water. | [Sensitive ]
Hygroscopic | [InChI]
InChI=1S/C20H40N4O4/c1-19(2,3)27-17(25)15-23-11-7-21-9-13-24(14-10-22-8-12-23)16-18(26)28-20(4,5)6/h21-22H,7-16H2,1-6H3 | [InChIKey]
OERWIIJOLSXGAQ-UHFFFAOYSA-N | [SMILES]
N1(CC(OC(C)(C)C)=O)CCNCCN(CC(OC(C)(C)C)=O)CCNCC1 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale-Yellow Solid | [Uses]
Intermediate in the preparation of chelating agents. | [References]
[1] LAUREN E. HOPPER Matthew J A. Rapid synthesis of 1,7-bis(t-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane (DO2A-t-Bu ester)[J]. Tetrahedron Letters, 2014, 55 40: Pages 5560-5561. DOI:10.1016/j.tetlet.2014.08.026.
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