TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA
- Product Name
- TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA
- CAS No.
- 122555-91-3
- Chemical Name
- TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA
- Synonyms
- DO3A-t-Bu-ester(M-130);DO3AtBu;DOTA-NH;DO3A tert-butyl;DO-(CH2COOt-Bu)3;DO3A tert-Butyl ester;TETRAAZACYCLODODECANE-;Gadobutrol Impurity 102;Gadolinium alcohol impurity 19;Cyclen Derivatives 5(Zatetol impurity5）
- CBNumber
- CB8497260
- Molecular Formula
- C26H50N4O6
- Formula Weight
- 514.7
- MOL File
- 122555-91-3.mol
TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA Property
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- T2541
- Product name
- Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate
- Purity
- >93.0%(N)
- Packaging
- 200mg
- Price
- $132
- Updated
- 2021/12/16
- Product number
- T886435
- Product name
- Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
- Packaging
- 50mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- 37170
- Product name
- 1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane,97%(GC)
- Purity
- 97%(GC)
- Packaging
- 1G
- Price
- $84
- Updated
- 2021/12/16
- Product number
- 37170
- Product name
- 1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane,97%(GC)
- Purity
- 97%(GC)
- Packaging
- 100MG
- Price
- $22.4
- Updated
- 2021/12/16
- Product number
- 37170
- Product name
- 1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane,97%(GC)
- Purity
- 97%(GC)
- Packaging
- 250MG
- Price
- $44.8
- Updated
- 2021/12/16
TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA Chemical Properties,Usage,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
TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA Suppliers
- Tel
- --
- Fax
- --
- Country
- Switzerland
- ProdList
- 6896
- Advantage
- 91
- Tel
- --
- Fax
- --
- contact@achemica.com
- Country
- Switzerland
- ProdList
- 6155
- Advantage
- 50
View Lastest Price from TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA manufacturers
- Product
- DO-(CH2COOt-Bu)3 122555-91-3
- Price
- US $0.00/g
- Min. Order
- 25g
- Purity
- >95.00%
- Supply Ability
- 25g
- Release date
- 2024-04-01
- Product
- TRI-T-BUTYL14710-TETRAAZACYCLODODECA 122555-91-3
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98.4%
- Supply Ability
- 100 tons
- Release date
- 2022-01-14
- Product
- TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA 122555-91-3
- Price
- US $5000.00/KG
- Min. Order
- 1KG
- Purity
- 97%
- Supply Ability
- 100kg
- Release date
- 2018-07-31