(E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

Base Information

Chemical Name:(E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate
CAS No.:1578116-10-5
Molecular Formula:C₂F₃O₂*C₄₆H₆₀N₅O₂
Molecular Weight:828.031
Hs Code.:

(E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

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Chemical Property of (E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

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Technology Process of (E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

There total 5 articles about (E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate 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: 28.0%

: 1578116-07-0
(E)-2-(2-(8-((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

: 100-39-0
benzyl bromide

: 1578116-10-5
(E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/ja500315x

Reference yield:

: (E)-2-((2-(6-hydroxymethyl)-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide

: 1578116-10-5
(E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: thionyl chloride; pyridine / N,N-dimethyl-formamide; dichloromethane / 0.5 h / 0 °C / Inert atmosphere

2.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 0.5 h / Reflux; Inert atmosphere

2.2: Inert atmosphere

3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 20 °C / Inert atmosphere

With pyridine; thionyl chloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/ja500315x

Reference yield:

: 2-[2-[2-chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indole-2-ylidene)ethylidene]-1-cyclohexene-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium iodide

: 1578116-10-5
(E)-2-(2-(8-((8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium trifluoroacetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine / N,N-dimethyl-formamide / 0.5 h / 110 °C / Inert atmosphere

2.1: thionyl chloride; pyridine / N,N-dimethyl-formamide; dichloromethane / 0.5 h / 0 °C / Inert atmosphere

3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 0.5 h / Reflux; Inert atmosphere

3.2: Inert atmosphere

4.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 20 °C / Inert atmosphere

With pyridine; thionyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/ja500315x