3-Nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

Base Information

Chemical Name:3-Nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile
CAS No.:914106-27-7
Molecular Formula:C₁₂H₁₂N₂O₂Si
Molecular Weight:244.325
Hs Code.:
DSSTox Substance ID:DTXSID701234182

Synonyms:3-nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile;914106-27-7;SCHEMBL1796916;XXXRZXFZDKPNCW-UHFFFAOYSA-N;DTXSID701234182

Suppliers and Price of 3-Nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:244.066804164
Heavy Atom Count:17
Complexity:413

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3-Nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

There total 1 articles about 3-Nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile 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: 66.0%

: 89642-49-9
4-bromo-3-nitrobenzonitrile

: 1066-54-2
trimethylsilylacetylene

: 914106-27-7
3-nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

Guidance literature:: With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 60 ℃; for 3h;
DOI:10.1021/jm0612867

Reference yield: 83.0%

: 914106-27-7
3-nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

: 4-(iodoethynyl)-3-nitrobenzonitrile

Guidance literature:: With N-iodo-succinimide; silver nitrate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 5h; Inert atmosphere; Darkness;
DOI:10.1021/ol503487f

Reference yield:

: 914106-27-7
3-nitro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

: C₁₇H₁₄N₆O₃

Guidance literature:: Multi-step reaction with 3 steps

1.1: 95 percent / aq. Cs₂CO₃ / acetonitrile / 0.75 h / 0 °C

2.1: 67 percent / bis(tributyltin) oxide / CH₂Cl₂

3.1: HCl / ethanol; dioxane / 0 - 20 °C

3.2: 32 percent / NH₃ / ethanol

With hydrogenchloride; caesium carbonate; bis(tri-n-butyltin)oxide; In 1,4-dioxane; ethanol; dichloromethane; acetonitrile;
DOI:10.1021/jm0612867