Trimethyl((4-nitrophenyl)ethynyl)silane

Base Information

• Chemical Name: Trimethyl((4-nitrophenyl)ethynyl)silane
• CAS No.: 75867-38-8
• Molecular Formula: C11H13NO2Si
• Molecular Weight: 219.315
• DSSTox Substance ID: DTXSID50401669
• Nikkaji Number: J677.145I
• Wikidata: Q82204881
• Mol file: 75867-38-8.mol

Synonyms:Trimethyl((4-nitrophenyl)ethynyl)silane;75867-38-8;Trimethyl-[2-(4-nitrophenyl)ethynyl]silane;1-Nitro-4-[2-(trimethylsilyl)ethynyl]benzene;1-(4'-nitrophenyl)-2-trimethylsilyl acetylene;Trimethyl[(4-nitrophenyl)ethynyl]silane;1-(4-nitrophenyl)-2-trimethylsilylacetylene;SCHEMBL2455748;DTXSID50401669;YVPIXZAXKQWEOB-UHFFFAOYSA-N;4-Nitrophenyltrimethylsilylacetylene;4-(trimethylsilylethynyl)nitrobenzene;AKOS016009571;AB91920;1-nitro-4-(trimethylsilylethynyl)benzene;4-[(Trimethylsilyl)-ethynyl]nitrobenzene;4-Nitro-1-[(trimethylsilyl)ethynyl]benzene;F84222;A865606

Chemical Property of Trimethyl((4-nitrophenyl)ethynyl)silane

Chemical Property:

• Melting Point: 96-97 °C(Solv: hexane (110-54-3))
• Boiling Point: 277.6±32.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.08±0.1 g/cm3(Predicted)
• LogP: 3.34690
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.071555192
• Heavy Atom Count: 15
• Complexity: 294

Purity/Quality:

97% ^*data from raw suppliers

Trimethyl((4-nitrophenyl)ethynyl)silane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)C#CC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Trimethyl((4-nitrophenyl)ethynyl)silane

There total 15 articles about Trimethyl((4-nitrophenyl)ethynyl)silane 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: 99.0%

p-nitrobenzene iodide (636-98-6) + trimethylsilylacetylene (1066-54-2) → 4-nitro-1-(trimethylsilylethynyl)benzene (75867-38-8)

Guidance literature:

trimethylsilylacetylene; With piperidine; indium(III) bromide; at 20 ℃; for 2.5h;

p-nitrobenzene iodide; With piperidine; bis-triphenylphosphine-palladium(II) chloride; at 20 ℃; for 1h;

DOI:10.1021/ol036499u

Reference yield: 95.0%

C12H13NO4Si → 4-nitro-1-(trimethylsilylethynyl)benzene (75867-38-8)

Guidance literature:

With copper(l) chloride; tricyclohexylphosphine; In N,N-dimethyl-formamide; at 80 ℃; for 6h;

DOI:10.1021/acs.organomet.0c00433

Reference yield: 94.0%

para-nitrophenyl bromide (586-78-7) + trimethylsilylacetylene (1066-54-2) → 4-nitro-1-(trimethylsilylethynyl)benzene (75867-38-8)

Guidance literature:

With diisopropylammonium bromide; tri tert-butylphosphoniumtetrafluoroborate; copper(l) iodide; sodium tetrachloropalladate(II); In various solvent(s); at 80 ℃; for 12h;

DOI:10.1002/adsc.200505095

upstream raw materials:

para-nitrophenyl bromide

trimethylsilylacetylene

p-nitrobenzene iodide

para-nitrophenyl triflate

Downstream raw materials:

4-(2,5-diethyl-4-phenylethynylphenylethynyl)aniline

4-(2,5-diethyl-4-phenylethynylphenylethynyl)nitrobenzene

1-benzyl-4-(4-nitro)phenyl-1H-1,2,3-triazole

C₁₈H₁₆N₂O₄S