4-(Dimethylamino)-2-methyl-2-phenylbutyronitrile

Base Information

• Chemical Name: 4-(Dimethylamino)-2-methyl-2-phenylbutyronitrile
• CAS No.: 2809-43-0
• Molecular Formula: C13H18 N2
• Molecular Weight: 202.2954
• DSSTox Substance ID: DTXSID80950817
• Nikkaji Number: J42.928G
• Mol file: 2809-43-0.mol

Synonyms:BRN 2807432;2809-43-0;4-(dimethylamino)-2-methyl-2-phenylbutanenitrile;4-(Dimethylamino)-2-methyl-2-phenylbutyronitrile;BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-METHYL-2-PHENYL-;DTXSID80950817;LS-48247;Hydratroponitrile, .alpha.-[2-(dimethylamino)ethyl]-

Chemical Property of 4-(Dimethylamino)-2-methyl-2-phenylbutyronitrile

Chemical Property:

• Vapor Pressure: 0.000661mmHg at 25°C
• Boiling Point: 308.9°Cat760mmHg
• Flash Point: 123.4°C
• PSA: 27.03000
• Density: 0.98g/cm³
• LogP: 2.41958
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Dimethylamino)-2-methyl-2-phenylbutyronitrile

There total 2 articles about 4-(Dimethylamino)-2-methyl-2-phenylbutyronitrile 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-(dimethylamino)ethyl chloride (107-99-3) + 1-phenylethyl cyanide (1823-91-2) → 2-Methyl-4-dimethylamino-2-phenyl-butannitril (2809-43-0)

Guidance literature:

With sodium amide; toluene;

DOI:10.1021/ja01154a104 DOI:10.1021/jo01120a017 DOI:10.1039/jr9500001467

Reference yield:

4-dimethylamino-2-phenyl-butyronitrile (50599-78-5) → 2-Methyl-4-dimethylamino-2-phenyl-butannitril (2809-43-0)

Guidance literature:

With sodium amide; toluene; anschliessend Behandeln mit CH₃I;

DOI:10.1021/ja01136a009

Reference yield: 87.0%

2-Methyl-4-dimethylamino-2-phenyl-butannitril (2809-43-0) + phenylmagnesium bromide → 2-Methyl-4-dimethylamino-1,2-diphenyl-1-butanon

Guidance literature:

1.) Et₂O, toluene, 2.) toluene, 105 deg C, 1 h;

DOI:10.1002/ardp.19863191010

upstream raw materials:

4-dimethylamino-2-phenyl-butyronitrile

2-(dimethylamino)ethyl chloride

1-phenylethyl cyanide

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