2-Ethoxy-6-fluoro-I+/--[(trimethylsilyl)oxy]benzeneacetonitrile

Base Information

• Chemical Name: 2-Ethoxy-6-fluoro-I+/--[(trimethylsilyl)oxy]benzeneacetonitrile
• CAS No.: 82129-46-2
• Molecular Formula: C₁₃H₁₈FNO₂Si
• Molecular Weight: 267.375
• DSSTox Substance ID: DTXSID701184183

Synonyms:SCHEMBL11040633;DTXSID701184183;82129-46-2;2-Ethoxy-6-fluoro-I+/--[(trimethylsilyl)oxy]benzeneacetonitrile

Chemical Property of 2-Ethoxy-6-fluoro-I+/--[(trimethylsilyl)oxy]benzeneacetonitrile

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 267.10908351
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C(=CC=C1)F)C(C#N)O[Si](C)(C)C

Technology Process of 2-Ethoxy-6-fluoro-I+/--[(trimethylsilyl)oxy]benzeneacetonitrile

There total 1 articles about 2-Ethoxy-6-fluoro-I+/--[(trimethylsilyl)oxy]benzeneacetonitrile 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:

trimethylsilyl cyanide (7677-24-9) + 2-ethoxy-6-fluorobenzaldehyde (82129-45-1) → 2-(2-ethoxy-6-fluorophenyl)-2-trimethylsiloxyethanenitrile (82129-46-2)

Guidance literature:

With zinc(II) iodide; In dichloromethane; for 65h; Ambient temperature;

DOI:10.1021/jm00155a030

Reference yield: 51.0%

ethanol (64-17-5) + 2-(2-ethoxy-6-fluorophenyl)-2-trimethylsiloxyethanenitrile (82129-46-2) → ethyl 1-(2-ethoxy-6-fluorophenyl)-1-hydroxymethanecarboximidate hydrochloride (82129-47-3)

Guidance literature:

With hydrogenchloride; at 5 ℃; for 16h;

DOI:10.1021/jm00155a030

upstream raw materials:

trimethylsilyl cyanide

2-ethoxy-6-fluorobenzaldehyde

Downstream raw materials:

ethyl 1-(2-ethoxy-6-fluorophenyl)-1-hydroxymethanecarboximidate hydrochloride

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