N,N-Dimethyl-4-((4-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)aniline

Base Information

• Chemical Name: N,N-Dimethyl-4-((4-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)aniline
• CAS No.: 858363-73-2
• Molecular Formula: C29H27NSi
• Molecular Weight: 417.626
• DSSTox Substance ID: DTXSID10474298
• Nikkaji Number: J2.191.638B
• Wikidata: Q82304203
• Mol file: 858363-73-2.mol

Synonyms:858363-73-2;N,N-Dimethyl-4-((4-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)aniline;N,N-DIMETHYL-4-((4-((4-((TRIMETHYLSILYL)ETHYNYL)-PHENYL)ETHYNYL)PHENYL)ETHYNYL)ANILINE;N,N-dimethyl-4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]aniline;DTXSID10474298

Chemical Property of N,N-Dimethyl-4-((4-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)aniline

Chemical Property:

• Melting Point: 216 °C
• Boiling Point: 536.8±50.0 °C(Predicted)
• PKA: 4.26±0.24(Predicted)
• PSA: 3.24000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 5.78110
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 417.191276400
• Heavy Atom Count: 31
• Complexity: 768

Purity/Quality:

95+% ^*data from raw suppliers

N,N-Dimethyl-4-((4-((4-((trimethylsilyl)ethynyl)-phenyl)ethynyl)phenyl)ethynyl)aniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C#C[Si](C)(C)C

Technology Process of N,N-Dimethyl-4-((4-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)aniline

There total 6 articles about N,N-Dimethyl-4-((4-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)aniline 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: 88.0%

1-iodo-4-(trimethylsilylethynyl)benzene (134856-58-9) + 1-(p-N,N-dimethylaminophenyl)-2-(p-ethynylphenyl)ethyne (778593-53-6) → dimethyl-{4-[4-(4-trimethylsilanylethynyl-phenylethynyl)-phenylethynyl]-phenyl}-amine (858363-73-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1002/ejoc.201101226

Reference yield:

N,N-dimethyl-4-{[4-[(trimethylsilyl)ethynyl]phenyl]ethynyl}aniline (910467-59-3) + 1-iodo-4-(trimethylsilylethynyl)benzene (134856-58-9) → dimethyl-{4-[4-(4-trimethylsilanylethynyl-phenylethynyl)-phenylethynyl]-phenyl}-amine (858363-73-2)

Guidance literature:

N,N-dimethyl-4-{[4-[(trimethylsilyl)ethynyl]phenyl]ethynyl}aniline; With potassium hydroxide; In tetrahydrofuran; methanol; at 25 ℃; for 4h;

1-iodo-4-(trimethylsilylethynyl)benzene; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diethylamine; In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1002/ejoc.200600103

Reference yield:

N,N-dimethyl-4-[(trimethylsilyl)ethynyl]aniline (40230-97-5) → dimethyl-{4-[4-(4-trimethylsilanylethynyl-phenylethynyl)-phenylethynyl]-phenyl}-amine (858363-73-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: KOH / methanol; tetrahydrofuran / 4 h / 25 °C

2.1: 98 percent / Pd(PPh₃)2Cl₂; Et₂NH; CuI / tetrahydrofuran / 24 h / 25 °C

3.1: KOH / methanol; tetrahydrofuran / 4 h / 25 °C

3.2: 0.39 g / Pd(PPh₃)2Cl₂; CuI; NHEt₂ / tetrahydrofuran / 24 h / 25 °C

With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide; copper(l) iodide; diethylamine; In tetrahydrofuran; methanol; 2.1: Sonogashira coupling reaction / 3.2: Sonogashira coupling reaction;

DOI:10.1002/ejoc.200600103

upstream raw materials:

N,N-dimethyl-4-{[4-[(trimethylsilyl)ethynyl]phenyl]ethynyl}aniline

1-iodo-4-(trimethylsilylethynyl)benzene

N,N-dimethyl-4-[(trimethylsilyl)ethynyl]aniline

4-ethynyl-N,N-dimethylaniline

Downstream raw materials:

4-({4-[(4-ethynylphenyl)ethynyl]phenyl}-ethynyl)-N,N-dimethylaniline

C₅₈H₃₆N₆

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