4-(Methylthio)-alpha-[(trimethylsilyl)oxy]benzeneacetonitrile

Base Information

• Chemical Name: 4-(Methylthio)-alpha-[(trimethylsilyl)oxy]benzeneacetonitrile
• CAS No.: 93554-99-5
• Molecular Formula: C₁₂H₁₇NOSSi
• Molecular Weight: 251.425
• DSSTox Substance ID: DTXSID401196836
• Nikkaji Number: J3.067.121J
• Mol file: 93554-99-5.mol

Synonyms:93554-99-5;SCHEMBL7087717;FKTPWYKOBPJXOS-UHFFFAOYSA-N;DTXSID401196836;AKOS011843942;4-methylthio-alpha-[(trimethylsilyl)oxy]benzeneacetonitrile;4-(Methylthio)-alpha-[(trimethylsilyl)oxy]benzeneacetonitrile

Chemical Property of 4-(Methylthio)-alpha-[(trimethylsilyl)oxy]benzeneacetonitrile

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 251.08001187
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)OC(C#N)C1=CC=C(C=C1)SC

Technology Process of 4-(Methylthio)-alpha-[(trimethylsilyl)oxy]benzeneacetonitrile

There total 1 articles about 4-(Methylthio)-alpha-[(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) + 4-(Methylthio)benzaldehyde (3446-89-7) → 2-trimethylsilyloxy-(4-thiomethylphenyl)acetonitrile (93554-99-5)

Guidance literature:

With zinc(II) iodide; In neat (no solvent); for 0.25h; Yield given;

DOI:10.1016/S0040-4039(01)91205-5

Reference yield:

2-trimethylsilyloxy-(4-thiomethylphenyl)acetonitrile (93554-99-5) → Amino-(4-methylsulfanyl-phenyl)-acetonitrile (93554-85-9)

Guidance literature:

With ammonia; In methanol; at 40 ℃; for 2h; Yield given;

DOI:10.1016/S0040-4039(01)91205-5

Reference yield:

2-trimethylsilyloxy-(4-thiomethylphenyl)acetonitrile (93554-99-5) → 2-amino-1-(4-methylsulfanyl-phenyl)-ethanol (145412-92-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 50 ℃;

DOI:10.1016/j.bmcl.2014.01.064

upstream raw materials:

trimethylsilyl cyanide

4-(Methylthio)benzaldehyde

Downstream raw materials:

(R)-(4-Methylsulfanyl-phenyl)-((R)-1-phenyl-ethylamino)-acetonitrile; hydrochloride

(S)-(4-Methylsulfanyl-phenyl)-((R)-1-phenyl-ethylamino)-acetonitrile; hydrochloride

(S)-(4-Methylsulfanyl-phenyl)-((S)-1-phenyl-ethylamino)-acetonitrile; hydrochloride

Amino-(4-methylsulfanyl-phenyl)-acetonitrile