Benzonitrile, 4-[(4-ethynyl-3-nitrophenyl)ethynyl]-

Base Information

Chemical Name:Benzonitrile, 4-[(4-ethynyl-3-nitrophenyl)ethynyl]-
CAS No.:676251-51-7
Molecular Formula:C17H8N2O2
Molecular Weight:272.263
Hs Code.:

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Chemical Property of Benzonitrile, 4-[(4-ethynyl-3-nitrophenyl)ethynyl]-

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Technology Process of Benzonitrile, 4-[(4-ethynyl-3-nitrophenyl)ethynyl]-

There total 7 articles about Benzonitrile, 4-[(4-ethynyl-3-nitrophenyl)ethynyl]- 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: 57.0%

: 676251-50-6
4-(3-nitro-4-trimethylsilanylethynylphenylethynyl)benzonitrile

: 676251-51-7
4-(4-ethynyl-3-nitrophenylethynyl)benzonitrile

Guidance literature:: With tetrabutyl ammonium fluoride; acetic anhydride; acetic acid; In tetrahydrofuran;
DOI:10.1021/jo035821b

Reference yield:

: 623-00-7
4-bromobenzenecarbonitrile

: 676251-51-7
4-(4-ethynyl-3-nitrophenylethynyl)benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: CuI; iPr₂NEt; PPh₃ / Pd(dba)2 / tetrahydrofuran / 4.5 h / 55 °C

2: 2.3 g / K₂CO₃ / methanol / 3 h

3: 59 percent / CuI; iPr₂NEt; PPh₃ / Pd(dba)2 / tetrahydrofuran

4: 57 percent / AcOH; TBAF; Ac₂O / tetrahydrofuran

With copper(l) iodide; tetrabutyl ammonium fluoride; acetic anhydride; potassium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; triphenylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; methanol; 1: Castro-Stephens/Sonogashira coupling / 3: Castro-Stephens/Sonogashira coupling;
DOI:10.1021/jo035821b

Reference yield:

: 875-51-4
4-Bromo-2-nitroaniline

: 676251-51-7
4-(4-ethynyl-3-nitrophenylethynyl)benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: BF₃*OEt₂; t-BuONO / tetrahydrofuran / -30 - -5 °C

1.2: 62 percent / KI; I₂ / acetonitrile / 0.25 h / 20 °C

2.1: 95 percent / CuI; Et₃N / PdCl₂(PPh₃)2 / tetrahydrofuran

3.1: 59 percent / CuI; iPr₂NEt; PPh₃ / Pd(dba)2 / tetrahydrofuran

4.1: 57 percent / AcOH; TBAF; Ac₂O / tetrahydrofuran

With copper(l) iodide; tert.-butylnitrite; boron trifluoride diethyl etherate; tetrabutyl ammonium fluoride; acetic anhydride; acetic acid; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; 2.1: Castro-Stephens/Sonogashira coupling / 3.1: Castro-Stephens/Sonogashira coupling;
DOI:10.1021/jo035821b