4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile

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Chemical Name:4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile
CAS No.:916081-52-2
Molecular Formula:C₅₆H₅₂N₂O₂
Molecular Weight:785.041
Hs Code.:

Synonyms:4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile

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Chemical Property of 4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile

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Technology Process of 4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile

There total 9 articles about 4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile 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%

: 145483-68-7
1,4-diiodo-2,5-dioctyloxybenzene

: 189099-74-9
4-((4-ethynylphenyl)ethynyl)benzonitrile

: 916081-52-2
4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile

Guidance literature:: With copper(l) iodide; triethylamine; triphenylphosphine; palladium dichloride; In tetrahydrofuran; at 20 ℃; for 16h;
DOI:10.1016/j.tetlet.2006.09.032

Reference yield:

: 111-83-1
1-bromo-octane

: 916081-52-2
4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 74 percent / KOH; nBu₄N⁽¹⁺⁾*Br^(1-) / 16 h / 80 °C

2: 80 percent / I₂ / CH₂Cl₂ / 12 h / 20 °C

3: 78 percent / triethylamine; CuI; PPh₃ / PdCl₂ / tetrahydrofuran / 16 h / 20 °C

With potassium hydroxide; copper(l) iodide; tetrabutylammomium bromide; iodine; triethylamine; triphenylphosphine; palladium dichloride; In tetrahydrofuran; dichloromethane;
DOI:10.1016/j.tetlet.2006.09.032

Reference yield:

: 623-00-7
4-bromobenzenecarbonitrile

: 916081-52-2
4,4'-(4,4'-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethyne-2,1-diyl)bis(4,1-phenylene))bis(ethyne-2,1-diyl)dibenzonitrile

Guidance literature:: Multi-step reaction with 6 steps

1: 96 percent / CuI; triethylamine; PdCl₂(PPh₃)2 / benzene / 16 h / 70 °C

2: 89 percent / K₂CO₃; MeOH / CH₂Cl₂ / 0.5 h / 20 °C

3: 93 percent / CuI; triethylamine; PdCl₂(PPh₃)2 / tetrahydrofuran / 16 h / 20 °C

4: 82 percent / CuI; triethylamine; PdCl₂(PPh₃)2 / benzene / 16 h / 70 °C

5: 83 percent / K₂CO₃; MeOH / CH₂Cl₂ / 0.5 h / 20 °C

6: 78 percent / triethylamine; CuI; PPh₃ / PdCl₂ / tetrahydrofuran / 16 h / 20 °C

With methanol; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; triethylamine; triphenylphosphine; palladium dichloride; In tetrahydrofuran; dichloromethane; benzene;
DOI:10.1016/j.tetlet.2006.09.032