Tri-t-butyl 1 4 7 10-tetraazacyclododeca
- CAS No.
- 122555-91-3
- Chemical Name:
- Tri-t-butyl 1 4 7 10-tetraazacyclododeca
- Synonyms
- tri-tert-butyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate;DOTA-NH;DO3A-t-Bu-ester(M-130);1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane;DO3AtBu;DO3A tert-butyl;DO-(CH2COOt-Bu)3;DO3A tert-Butyl ester;TETRAAZACYCLODODECANE-;Gadobutrol Impurity 102
- CBNumber:
- CB8497260
- Molecular Formula:
- C26H50N4O6
- Molecular Weight:
- 514.7
- MDL Number:
- MFCD05865261
- MOL File:
- 122555-91-3.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 181-183℃ |
|---|---|
| Boiling point | 561.6±50.0 °C(Predicted) |
| Density | 1.022 |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Low-Melting Solid |
| pka | 9.57±0.20(Predicted) |
| color | White to Off-White |
| Sensitive | Hygroscopic |
| InChI | InChI=1S/C26H50N4O6/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9/h27H,10-20H2,1-9H3 |
| InChIKey | NMHVTLJFPDOJOD-UHFFFAOYSA-N |
| SMILES | N1(CC(OC(C)(C)C)=O)CCNCCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1 |
| FDA UNII | CMX8GL4N3Y |
SAFETY
Risk and Safety Statements
| Symbol(GHS) | ![]() GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P280a-P304+P340-P405-P501a-P261-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29339900 | |||||||||
| NFPA 704 |
|
Tri-t-butyl 1 4 7 10-tetraazacyclododeca price More Price(63)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | T2541 | Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate >93.0%(N) | 122555-91-3 | 200mg | $132 | 2021-12-16 | Buy |
| Biosynth | FT60847 | Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate | 122555-91-3 | 25g | $900 | 2026-06-04 | Buy |
| Biosynth | FT60847 | Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate | 122555-91-3 | 1g | $900 | 2026-06-04 | Buy |
| Biosynth | FT60847 | Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate | 122555-91-3 | 10g | $900 | 2026-06-04 | Buy |
| Biosynth | FT60847 | Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate | 122555-91-3 | 5g | $900 | 2026-06-04 | Buy |
Tri-t-butyl 1 4 7 10-tetraazacyclododeca Chemical Properties, Uses, Production
Uses
Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate with amide ligands bearing positively charged terbium complexes are used for sensitive detection of NADPH-dependent enzyme activities.
Synthesis
5292-43-3
294-90-6
122555-91-3
Under nitrogen protection, 1,4,7,10-tetraazacyclododecane (1 g, 5.81 mmol) was dissolved in anhydrous acetonitrile (20 ml) and cooled to 0 °C. Sodium bicarbonate (1.464 g, 17.44 mmol) was added to the reaction system under stirring conditions. Subsequently, anhydrous acetonitrile solution (10 ml) of tert-butyl bromoacetate (3.4 g, 17.44 mmol) was slowly added through a dropping funnel over a period of 1 hour. The reaction mixture was continued to be stirred at 0 °C for 3 h, followed by raising to room temperature and stirring for 45 h. The progress of the reaction was monitored by thin layer chromatography (TLC) with the unfolding agent being dichloromethane (DCM): methanol (9:1), and the target product had an Rf value of 0.67. Upon completion of the reaction, the reaction mixture was filtered and the filtrate was concentrated to dryness under reduced pressure. The crude product was purified by silica gel column chromatography with the eluent being dichloromethane solution containing 2% methanol to afford tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate (Compound 2) as a white powder in 83.5% yield.
References
[1] Tetrahedron Letters, 2013, vol. 54, # 8, p. 918 - 920
[2] Tetrahedron Letters, 2009, vol. 50, # 31, p. 4459 - 4462
[3] European Journal of Medicinal Chemistry, 2013, vol. 65, p. 12 - 20
[4] Patent: WO2014/200872, 2014, A1. Location in patent: Page/Page column 73; 77
[5] Organic and Biomolecular Chemistry, 2011, vol. 9, # 5, p. 1591 - 1599
Tri-t-butyl 1 4 7 10-tetraazacyclododeca Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Grice Rand (Tianjin) Pharmaceutical Co., Ltd. | 022-83705301 13752403750 | 2966024760@qq.com | China | 814 | 55 |
| Quzhou AMK BioTech Co., Ltd | 0570-3081766 18357083060 | sales@qzamkbio.com | China | 1200 | 55 |
| Henan Mengtai Pharmaceutical Technology Co., Ltd | 17634413542 | 1959525201@qq.com | China | 9011 | 58 |
| Shanghai Minhan Pharmaceutical Technology Co., Ltd. | 17612188245 | 2816925681@qq.com | China | 8316 | 58 |
| Jilin Chinese Academy of Sciences - Yanshen Technology Co., Ltd | 0431-80534353 19917294565 | et@chemextension.com | China | 3904 | 55 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Beijing HwrkChemical Technology Co., Ltd | 89508211 18501085097 | sales.bj@hwrkchemical.com | China | 9407 | 55 |
View Latest Price from Tri-t-butyl 1 4 7 10-tetraazacyclododeca manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2026-04-22 | DO3A tert-Butyl ester
122555-91-3
|
$34.00-69.00 | 10g | TargetMol Chemicals Inc. | |||
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2025-06-07 | DO-(CH2COOt-Bu)3
122555-91-3
|
25g | >95.00% | 25g | Xian confluore Biological Technology Co., Ltd. | ||
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2025-04-04 | TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA
122555-91-3
|
1KG | 98% | 1ton | Henan Aochuang Chemical Co.,Ltd. |
-

- DO3A tert-Butyl ester
122555-91-3
- $34.00-69.00
- TargetMol Chemicals Inc.
-

- DO-(CH2COOt-Bu)3
122555-91-3
- $0.00
- >95.00%
- Xian confluore Biological Technology Co., Ltd.
-

- TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA
122555-91-3
- 98%
- Henan Aochuang Chemical Co.,Ltd.





