137076-54-1

Basic information

• Product Name: TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD
• Synonyms: 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;TRI-TERT-BUTYL 1,4,7,10-TETRAAZACYCLODODECANE-TETRAACETATE;1,4,7,10-Tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-acetic acid
• CAS NO: 137076-54-1
• Molecular Formula: C₂₈H₅₂N₄O₈
• Molecular Weight: 572.73448
• Mol File: 137076-54-1.mol
• Article Data: 35

Chemical Properties

• Melting Point: 129-131℃
• Boiling Point: 632.127 °C at 760 mmHg
• Flash Point: 336.099 °C
• Appearance: /
• Density: 1.079
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.48
• Storage Temp.: Store at +2°C to +8°C.
• Solubility: Aqueous Base (Slightly), Chloroform (Slightly), DMSO (Slightly),Methanol (Slight
• PKA: 4.24±0.10(Predicted)
• CAS DataBase Reference: TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD(CAS DataBase Reference)
• NIST Chemistry Reference: TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD(137076-54-1)
• EPA Substance Registry System: TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD(137076-54-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 137076-54-1(Hazardous Substances Data)

Usage

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

Different sources of media describe the Uses of 137076-54-1 differently. You can refer to the following data:
1. DOTA-tris (t-Bu ester), is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents.
2. 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.

InChI:InChI=1/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)

Upstream product

• 5292-43-3 bromoacetic acid tert-butyl ester 
• 79-08-3 bromoacetic acid 
• 10045-25-7 1,4,7,10-tetraazacyclododecane tetrahydrochloride 
• 107-59-5 tert-Butyl chloroacetate 
• 468743-81-9 1-[1-(ethoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododecane 
• 1412494-55-3 C₃₁H₅₆N₄O₈ 
• 1023970-58-2 (1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid allyl ester 
• 294-90-6 1,4,7,10-tetraazacyclododecan 
• 173308-18-4 tri-tert-butyl 2,2',2''-(10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 
• 825625-07-8 tri-tert-butyl 2,2’,2’‘-(10-(2-ethoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 
• 67-56-1 methanol 
• 122555-91-3 1,4,7-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane 
• 244219-73-6 (1,4,7,10-tetraaza-cyclododec-1-yl)-acetic acid benzyl ester 
• 192635-89-5 phenylmethyl 2-(1,4,7,10-Tetraaza-4,7,10-tris(((tert-butyl)oxycarbonyl)methyl)cyclododecyl)-acetate 

Downstream Products

• 936125-22-3 tert-butyl 2,2',2''-(10-(2-oxo-2-(3-(prop-2-ynyloxy)benzamido)ethylamino)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 
• 936125-24-5 tert-butyl 2,2',2''-(10-(2-(2-(3,5-bis(prop-2-ynyloxy)benzamido)ethylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 
• 170908-81-3 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid mono(N-hydroxysuccinimidyl ester) 
• 1231171-63-3 DOTA-NLys⁽⁸⁾-Lys⁽⁹⁾-Pro⁽¹⁰⁾-Tyr⁽¹¹⁾-Tle⁽¹²⁾-Leu⁽¹³⁾ 
• 60239-18-1 1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane 
• 75-65-0 tert-butyl alcohol 
• 1412494-59-7 C₃₇H₆₂N₆O₈ 

Relevant articles and documents

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