Trimethyl((2-nitrophenyl)ethynyl)silane

Base Information

• Chemical Name: Trimethyl((2-nitrophenyl)ethynyl)silane
• CAS No.: 75867-47-9
• Molecular Formula: C11H13NO2Si
• Molecular Weight: 219.315
• DSSTox Substance ID: DTXSID20462661
• Nikkaji Number: J1.795.225K
• Wikidata: Q82287226
• Mol file: 75867-47-9.mol

Synonyms:Trimethyl((2-nitrophenyl)ethynyl)silane;75867-47-9;Trimethyl-[2-(2-nitrophenyl)ethynyl]silane;SCHEMBL2910616;DTXSID20462661;UPZZKECKTANWRG-UHFFFAOYSA-N;AKOS016003901;trimethyl-(2-nitrophenylethynyl)silane;trimethyl-(2-nitrophenyl-ethynyl)silane;Trimethyl((2-nitrophenyl)ethynyl) silane

Chemical Property of Trimethyl((2-nitrophenyl)ethynyl)silane

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.071555192
• Heavy Atom Count: 15
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trimethyl((2-nitrophenyl)ethynyl)silane

There total 4 articles about Trimethyl((2-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%

o-nitroiodobenzene (609-73-4) + trimethylsilylacetylene (1066-54-2) → trimethyl((2-nitrophenyl)ethynyl)silane (75867-47-9)

Guidance literature:

With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; triethylamine; In tetrahydrofuran; Inert atmosphere;

DOI:10.1021/jacs.9b08794

Reference yield: 99.0%

2-nitrophenyl bromide (577-19-5) + trimethylsilylacetylene (1066-54-2) → trimethyl((2-nitrophenyl)ethynyl)silane (75867-47-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; for 4h; Inert atmosphere;

Reference yield:

2-nitrophenyl bromide (577-19-5) + o-nitroiodobenzene (609-73-4) + diethylamine (109-89-7) + triethylamine (121-44-8) + N-ethyl-N,N-diisopropylamine (7087-68-5) → trimethyl((2-nitrophenyl)ethynyl)silane (75867-47-9)

Guidance literature:

2-nitrophenyl bromide; o-nitroiodobenzene; diethylamine; triethylamine; N-ethyl-N,N-diisopropylamine; dichlorobis(triphenylphosphine)palladium[II]; copper(I) iodide; trimethylsilylacetylene; In tetrahydrofuran; 1,4-dioxane; at 50 - 80 ℃; Combinatorial reaction / High throughput screening (HTS);

In tetrahydrofuran; 1,4-dioxane; ethyl acetate;

upstream raw materials:

2-nitrophenyl bromide

trimethylsilylacetylene

o-nitroiodobenzene

diethylamine

Downstream raw materials:

2-ethynyl-1-nitrobenzene

2-[(trimethylsilyl)ethynyl]aniline

indole

2-aminophenylacetaldehyde diethyl acetal