1-Ethynyl-4-((4-(phenylethynyl)phenyl)ethynyl)benzene

Base Information

• Chemical Name: 1-Ethynyl-4-((4-(phenylethynyl)phenyl)ethynyl)benzene
• CAS No.: 474458-61-2
• Molecular Formula: C₂₄H₁₄
• Molecular Weight: 302.375
• DSSTox Substance ID: DTXSID30475767
• Nikkaji Number: J1.666.977F
• Mol file: 474458-61-2.mol

Synonyms:474458-61-2;1-Ethynyl-4-((4-(phenylethynyl)phenyl)ethynyl)benzene;1-ethynyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene;1-ETHYNYL-4-((4-(PHENYLETHYNYL)-PHENYL)ETHYNYL)BENZENE;DTXSID30475767;AKOS016004138;FT-0736924

Chemical Property of 1-Ethynyl-4-((4-(phenylethynyl)phenyl)ethynyl)benzene

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 302.109550447
• Heavy Atom Count: 24
• Complexity: 566

Purity/Quality:

98% ^*data from raw suppliers

1-Ethynyl-4-((4-(phenylethynyl)-phenyl)ethynyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3

Technology Process of 1-Ethynyl-4-((4-(phenylethynyl)phenyl)ethynyl)benzene

There total 5 articles about 1-Ethynyl-4-((4-(phenylethynyl)phenyl)ethynyl)benzene 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:

triisopropyl-[4-(4-phenylethynyl-phenylethynyl)-phenylethynyl]-silane → 4-(2-(4-ethynylphenyl)-ethynyl)-1-(2-phenylethynyl)benzene (474458-61-2)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1002/ejoc.200600240

Reference yield:

para-diiodobenzene (624-38-4,1032416-46-8) → 4-(2-(4-ethynylphenyl)-ethynyl)-1-(2-phenylethynyl)benzene (474458-61-2)

Guidance literature:

Multi-step reaction with 5 steps

1: [Pd₂(dba)3*CHCl₃]; PPh₃; Et₃N / CuI / 1 h / 20 °C

2: [Pd₂(dba)3*CHCl₃]; PPh₃; Et₃N / CuI / 20 °C

3: NaOH; water / ethanol; tetrahydrofuran / 1 h / 20 °C

4: [Pd₂(dba)3*CHCl₃]; PPh₃; Et₃N / CuI / 20 °C

5: Bu₄NF / tetrahydrofuran / 2 h / 20 °C

With sodium hydroxide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tetrabutyl ammonium fluoride; water; triethylamine; triphenylphosphine; copper(l) iodide; In tetrahydrofuran; ethanol; 1: Sonogashira coupling reaction / 2: Sonogashira coupling reaction / 4: Sonogashira coupling reaction;

DOI:10.1002/ejoc.200600240

Reference yield:

1-iodo-4-(trimethylsilylethynyl)benzene (134856-58-9) → 4-(2-(4-ethynylphenyl)-ethynyl)-1-(2-phenylethynyl)benzene (474458-61-2)

Guidance literature:

Multi-step reaction with 4 steps

1: [Pd₂(dba)3*CHCl₃]; PPh₃; Et₃N / CuI / 20 °C

2: NaOH; water / ethanol; tetrahydrofuran / 1 h / 20 °C

3: [Pd₂(dba)3*CHCl₃]; PPh₃; Et₃N / CuI / 20 °C

4: Bu₄NF / tetrahydrofuran / 2 h / 20 °C

With sodium hydroxide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tetrabutyl ammonium fluoride; water; triethylamine; triphenylphosphine; copper(l) iodide; In tetrahydrofuran; ethanol; 1: Sonogashira coupling reaction / 3: Sonogashira coupling reaction;

DOI:10.1002/ejoc.200600240

upstream raw materials:

para-diiodobenzene

1-iodo-4-(trimethylsilylethynyl)benzene

1-((triisopropylsilyl)ethynyl)-4-ethynylbenzene

((4-((trimethylsilyl)ethynyl)phenyl)-ethynyl)triisopropylsilane

Downstream raw materials:

1,4-bis(4-(phenylethynyl)phenylethynyl)benzene

[Ru(PhC(CC₆H₄)2CC)(2,2':6',2''-terpyridine)(2,2'-bipyridine)](ClO₄)

trans-PtCl(C₂((C₆H₄)C₂)2(C₆H₅))(PBu₃)2

trans-Pt(II)(tributylphosphine)2(CCC₆H₅)(CCC₆H₄CCC₆H₄CCC₆H₅)

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