Basic information Safety Supplier Related

TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD

Basic information Safety Supplier Related

TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD Basic information

Product Name:
TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
Synonyms:
  • DOTA-tris(t-Bu ester)
  • Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate DOTA-tris(tBu)ester
  • 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
  • (4,7,10-Tris-tert-butoxycarbonylmethyl-1,4,7,10tetraaza-cyclododec-1-yl)-acetic acid
  • Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate
  • DOTA-tris(tert-butyl ester) Novabiochem
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester
  • TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
CAS:
137076-54-1
MF:
C28H52N4O8
MW:
572.73
Product Categories:
  • RDC Linker
  • PDC Linker
Mol File:
137076-54-1.mol
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TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD Chemical Properties

Melting point:
129-131℃
Boiling point:
632.1±55.0 °C(Predicted)
Density 
1.079
storage temp. 
Inert atmosphere,2-8°C
solubility 
Aqueous Base (Slightly), Chloroform (Slightly), DMSO (Slightly),Methanol(Slightly)
form 
Solid
pka
4.24±0.10(Predicted)
color 
Pale Beige
InChI
InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)
InChIKey
RVUXZXMKYMSWOM-UHFFFAOYSA-N
SMILES
N1(CC(OC(C)(C)C)=O)CCN(CC(O)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
CAS DataBase Reference
137076-54-1
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26
WGK Germany 
3
HS Code 
29339900
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TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD Usage And Synthesis

Description

DOTA(OtBu)3 contains a DOTA moiety with t-butyl groups which can be used as a chelating agent for cations and is commonly used for imaging diagnostics. The t-butyl protected carboxyl group can be deprotected under acidic conditions.

Uses

DOTA-tris (t-Bu ester), is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents.

Uses

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (tri BOC-DOTA) can be employed as a reactant to prepare:

  • Gadolinium ion functionalized with DOTA-LAE (lactobionic acid-ethylenediamine), which is used as a contrast agent for magnetic resonance imaging (MRI).
  • DOTA-conjugates of ursolic acid and ZD2 peptide 64Cu-DOTA conjugates.

TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD Preparation Products And Raw materials

Raw materials

TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODODSupplier

Dream Chemical (Tianjin) Co., Ltd Gold
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