Propanenitrile, 2-[(2-phenylethyl)amino]-

Base Information

• Chemical Name: Propanenitrile, 2-[(2-phenylethyl)amino]-
• CAS No.: 1564-16-5
• Molecular Formula: C11H14N2
• DSSTox Substance ID: DTXSID90473709
• Mol file: 1564-16-5.mol

Synonyms:1564-16-5;Propanenitrile, 2-[(2-phenylethyl)amino]-;DTXSID90473709;AKOS010957397

Chemical Property of Propanenitrile, 2-[(2-phenylethyl)amino]-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)NCCC1=CC=CC=C1

Technology Process of Propanenitrile, 2-[(2-phenylethyl)amino]-

There total 2 articles about Propanenitrile, 2-[(2-phenylethyl)amino]- 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:

sodium cyanide (143-33-9,25596-52-5) + acetaldehyde (75-07-0,9002-91-9) + phenethylamine (64-04-0) → 2-Phenaethylamino-propionitril (1564-16-5)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jo00084a025

Reference yield:

→ 2-Phenaethylamino-propionitril (1564-16-5)

Guidance literature:

entspr.Carbonylverb., entspr.Amin;

Reference yield:

2-Phenaethylamino-propionitril (1564-16-5) → N-(α-(Aminocarbonyl)ethyl)-N-(2-phenethyl)benzamide

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O; CH₂Cl₂ / 3 h

2: 81 percent / 30percent aq. H₂O₂, K₂CO₃ / dimethylsulfoxide / 50 °C

With dihydrogen peroxide; potassium carbonate; In dichloromethane; water; dimethyl sulfoxide;

DOI:10.1021/jo00084a025

upstream raw materials:

sodium cyanide

acetaldehyde

phenethylamine

Downstream raw materials:

N-(α-Cyanoethyl)-N-(2-phenethyl)benzamide