tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Base Information

Chemical Name:tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
CAS No.:1454305-56-6
Molecular Formula:C₄₅H₇₀F₃N₄O₁₀P
Molecular Weight:915.041
Hs Code.:

tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Synonyms:tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

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Chemical Property of tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

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Technology Process of tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

There total 4 articles about tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate 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: 78.0%

: 1454305-52-2
diethyl (2-((4-(bromomethyl)benzyl)oxy)-3-(trifluoromethyl)phenyl)phosphonate

: 122555-91-3
1,4,7-tris-tert-butoxycarbonylmethyl-1,4,7,10-tetraazacyclododecane

: 1454305-56-6
tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 48h; Inert atmosphere;
DOI:10.1002/chem.201300763

Reference yield:

: 444-30-4
2-(trifluoromethyl)phenol

: 1454305-56-6
tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine / tetrachloromethane / 0 - 20 °C

2.1: lithium diisopropyl amide / tetrahydrofuran / 3 h / -78 °C / Inert atmosphere

3.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 60 °C / Inert atmosphere

3.2: 18 h / 60 °C / Inert atmosphere

4.1: potassium carbonate / N,N-dimethyl-formamide / 48 h / 60 °C / Inert atmosphere

With potassium carbonate; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; tetrachloromethane; N,N-dimethyl-formamide; 2.1: |Fries Phenol Ester Rearrangement;
DOI:10.1002/chem.201300763

Reference yield:

: 1454305-45-3
diethyl 2-(trifluoromethyl)phenyl phosphate

: 1454305-56-6
tris-tert-butyl 2,2’,2’’-(10-(4-((2-(diethoxyphosphoryl)-6-(trifluoromethyl)-phenoxy)methyl)benzyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 3 h / -78 °C / Inert atmosphere

2.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 60 °C / Inert atmosphere

2.2: 18 h / 60 °C / Inert atmosphere

3.1: potassium carbonate / N,N-dimethyl-formamide / 48 h / 60 °C / Inert atmosphere

With potassium carbonate; lithium diisopropyl amide; In tetrahydrofuran; N,N-dimethyl-formamide; 1.1: |Fries Phenol Ester Rearrangement;
DOI:10.1002/chem.201300763