2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile

Base Information

• Chemical Name: 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile
• CAS No.: 90207-18-4
• Molecular Formula: C₁₅H₂₂N₂S
• Molecular Weight: 262.419
• NSC Number: 165844
• DSSTox Substance ID: DTXSID70304466
• Mol file: 90207-18-4.mol

Synonyms:90207-18-4;NSC165844;SCHEMBL9325508;DTXSID70304466;2-(2-dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile;NSC-165844

Chemical Property of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile

Chemical Property:

• Vapor Pressure: 1.14E-06mmHg at 25°C
• Boiling Point: 401.9°C at 760 mmHg
• Flash Point: 196.9°C
• Density: 1.036g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 262.15036988
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(CCSC)(C#N)C1=CC=CC=C1

Technology Process of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile

There total 2 articles about 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile 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:

2-(N,N-dimethylamino)ethyl bromide (5459-68-7) → 4-dimethylamino-2-(2-methylsulfanyl-ethyl)-2-phenyl-butyronitrile (90207-18-4)

Guidance literature:

With sodium amide;

Reference yield:

sulfure de methyle et de 2-chloroethyle (542-81-4) + 4-dimethylamino-2-phenyl-butyronitrile (50599-78-5) → 4-dimethylamino-2-(2-methylsulfanyl-ethyl)-2-phenyl-butyronitrile (90207-18-4)

Guidance literature:

With sodium amide;

Reference yield:

4-dimethylamino-2-(2-methylsulfanyl-ethyl)-2-phenyl-butyronitrile (90207-18-4) → N4,N4-dimethyl-2-(2-methylsulfanyl-ethyl)-2-phenyl-butanediyldiamine (131254-53-0)

Guidance literature:

With lithium aluminium tetrahydride;

upstream raw materials:

sulfure de methyle et de 2-chloroethyle

4-dimethylamino-2-phenyl-butyronitrile

2-(N,N-dimethylamino)ethyl bromide

Downstream raw materials:

N⁴,N⁴-dimethyl-2-(2-methylsulfanyl-ethyl)-2-phenyl-butanediyldiamine