TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD

Base Information

• Chemical Name: TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
• CAS No.: 137076-54-1
• Molecular Formula: C28H52N4O8
• Molecular Weight: 572.743
• Hs Code.: 29339900
• Mol file: 137076-54-1.mol

Synonyms:TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD;TRI-TERT-BUTYL 1,4,7,10-TETRAAZACYCLODODECANE-TETRAACETATE;1,4,7,10-Tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-acetic acid;DOTA-tris (t-Bu ester)(B-260);2-(4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acet;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-diMethylethyl) ester;2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID

Chemical Property of TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 129-131℃
• Refractive Index: 1.48
• Boiling Point: 632.127 °C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 336.099 °C
• PSA: 129.16000
• Density: 1.097 g/cm³
• LogP: 1.06930
• Storage Temp.: Store at +2°C to +8°C.
• Solubility.: Aqueous Base (Slightly), Chloroform (Slightly), DMSO (Slightly),Methanol (Slight

Purity/Quality:

≥98%, ^*data from raw suppliers

DOTA-tris(t-Buester)(~90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• 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. 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.

Technology Process of TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD

There total 21 articles about TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

tri-tert-butyl 2,2’,2’‘-(10-(2-ethoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (825625-07-8) → 1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid (137076-54-1)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 24h;

DOI:10.1021/ic3015354

Reference yield: 94.0%

phenylmethyl 2-(1,4,7,10-Tetraaza-4,7,10-tris(((tert-butyl)oxycarbonyl)methyl)cyclododecyl)-acetate (192635-89-5) → 1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid (137076-54-1)

Guidance literature:

Pd on carbon; In ethanol;

Reference yield: 77.0%

C31H56N4O8 (1412494-55-3) → 1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid (137076-54-1)

Guidance literature:

With 4-methyl-morpholine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2012.10.007

upstream raw materials:

phenylmethyl 2-(1,4,7,10-Tetraaza-4,7,10-tris(((tert-butyl)oxycarbonyl)methyl)cyclododecyl)-acetate

bromoacetic acid tert-butyl ester

bromoacetic acid

1,4,7,10-tetraazacyclododecan

Downstream raw materials:

C₄₉H₇₀N₆O₁₀

C₅₀H₇₂N₆O₁₀

C₅₃H₇₈N₆O₁₀

C₄₉H₇₀N₆O₁₀

Refernces

• 1、 Pazos, Elena,Torrecilla, Daniel,Lopez, Miguel Vazquez,Castedo, Luis,Mascarenas, Jose L.,Vidal, Anxo,Vazquez, M. Eugenio. "Cyclin A probes by means of intermolecular sensitization of terbium-chelating peptides". . p. 9652 - 9653. Retrieved 2008.
• 2、 Wardle, Nicholas. J.,Kalber, Tammy,Bell, Jimmy D.,Bligh, S.W. Annie. "Synthesis and characterisation of a novel tubulin-directed DO3A-colchicine conjugate with potential theranostic features". . p. 3346 - 3348. Retrieved 2011.
• 3、 Ghosh, Arijit,Haverick, Mark,Stump, Keith,Yang, Xiangyu,Tweedle, Michael F.,Goldberger, Joshua E.. "Fine-tuning the pH trigger of self-assembly". . p. 3647 - 3650. Retrieved 2012.
• 4、 Winnett, Matthew R.,Mini, Parvathy,Grace, Michael R.,Tuck, Kellie L.. "Time-Resolved Terbium-Based Probe for the Detection of Zinc(II) Ions: Investigation of the Formation of a Luminescent Ternary Complex". . p. 118 - 127. Retrieved 2020.
• 5、 -. "Ligand taking indocyanine green derivative as carrier as well as preparation method and application of ligand". Paragraph 0172; 0176; 0193-0194; 0239; 0243; 0260-0261. . Retrieved 2021/06/23.