alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrile

Base Information

• Chemical Name: alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrile
• CAS No.: 3582-41-0
• Molecular Formula: C16H18N2
• Molecular Weight: 238.3275
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20957229
• Nikkaji Number: J42.404H
• Mol file: 3582-41-0.mol

Synonyms:BRN 2740813;3582-41-0;Butyronitrile, 4-dimethylamino-2-(2-naphthyl)-;alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrile;2-NAPHTHALENEACETONITRILE, alpha-(2-(DIMETHYLAMINO)ETHYL)-;DTXSID20957229;LS-94401;4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile;alpha-[2-(Dimethylamino)ethyl]-2-naphthaleneacetonitrile;2-Naphthaleneacetonitrile, .alpha.-[2-(dimethylamino)ethyl]-

Chemical Property of alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrile

Chemical Property:

• Vapor Pressure: 2.43E-06mmHg at 25°C
• Boiling Point: 391.6°Cat760mmHg
• Flash Point: 168.1°C
• PSA: 27.03000
• Density: 1.065g/cm³
• LogP: 3.39868
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 238.146998583
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(C#N)C1=CC2=CC=CC=C2C=C1

Technology Process of alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrile

There total 1 articles about alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrile 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-naphthaleneacetonitrile (7498-57-9) + 2-(dimethylamino)ethyl chloride (107-99-3) → α-(2-Dimethylamino-aethyl)-naphthyl-(2)-acetonitril (3582-41-0)

Guidance literature:

With sodium amide; In benzene; Heating;

DOI:10.1021/jm00329a033

Reference yield:

α-(2-Dimethylamino-aethyl)-naphthyl-(2)-acetonitril (3582-41-0) → α-(2-Dimethylamino-aethyl)-α-isopropyl-naphthyl-(2)-acetamid (3582-43-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNH₂ / diethyl ether / Heating

2: aq. H₂SO₄ / acetic acid

With sulfuric acid; sodium amide; In diethyl ether; acetic acid;

DOI:10.1021/jm00329a033

Reference yield:

α-(2-Dimethylamino-aethyl)-naphthyl-(2)-acetonitril (3582-41-0) + isopropyl bromide (75-26-3) → α-(2-Dimethylamino-aethyl)-α-isopropyl-naphthyl-(2)-acetonitril (3582-42-1)

Guidance literature:

With sodium amide; In diethyl ether; Heating;

DOI:10.1021/jm00329a033

upstream raw materials:

2-naphthaleneacetonitrile

2-(dimethylamino)ethyl chloride

Downstream raw materials:

α-(2-Dimethylamino-aethyl)-α-isopropyl-naphthyl-(2)-acetonitril

α-(2-Dimethylamino-aethyl)-α-isopropyl-naphthyl-(2)-acetamid