ChemicalBook > CAS DataBase List > TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA

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

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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

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26
WGK Germany: 3
HS Code: 29339900

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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.

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N-Bromosuccinimide Price

TCI Chemical

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

TRC

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

Chem-Impex

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

Chem-Impex

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

Chem-Impex

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

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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

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View Lastest Price from TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA manufacturers

Xian confluore Biological Technology Co., Ltd.

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

Honest Joy Holdings Limited

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

Career Henan Chemical Co

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

122555-91-3, TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECARelated Search:

Tri-tert-butylphosphine TRI-TERT-BUTYLPHOSPHONIUM TETRAPHENYLBORATE Tri-tert-butylphosphine tetrafluoroborate Triphenyl phosphite 3,4,6-Tri-O-benzyl-D-glucal Tris(2-chloroethyl) phosphate Azetidine TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA Tetradecane

TRI-T-BUTYL 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETATE

1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic Acid Tri-tert-butyl Ester

1,4,7,10-Tetraazacyclododecane-1,4,7-tris(t-butyl acetate)(DO3A-t-Butyl ester)

DO3A-t-Bu-ester(M-130)

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, tris(1,1-diMethylethyl) ester

1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETATE

TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester

DO3A tert-Butyl ester

tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate

Tri-<i>tert</i>-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate

tert-Butyl 2-[4,7-bis(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate

tri-tert-butyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

DO3AtBu

1,4,7, 1C-Tetraazacyclododecane-1,7-biadt-butyl acetate)

1,4,7,10-Tetraazacyclododecane-1,4,7-tris(t-butyl acetate)

DO3A tert-butyl

tris(tert-butyl) 2,2,2-(1,4,7,10-tetraazacyclododecane-1,4,7

Gadobutrol Impurity A or 2,2'-(4,10-bis((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid

DO-(CH2COOt-Bu)3

TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA ISO 9001：2015 REACH

Tri-tert-butyl 1,4,7,1-tetraazacyclododecane-1,4,7-triacetate

TRI-T-BUTYL 1 4 7 10-TETRAAZACYCLODODECA 122555-91-3

Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,8-triacetate

TETRAAZACYCLODODECANE-

tert-butyl 2-{4,10-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetate

DOTA-NH

Tri-tert-butyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacet

Gadolinium alcohol impurity 19

Gadobutrol Impurity 102

Cyclen Derivatives 5(Zatetol impurity5）

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester (ACI)

122555-91-3

C26H50N4O6