2-[4-(Diethylamino)phenyl]acetonitrile

Base Information

• Chemical Name: 2-[4-(Diethylamino)phenyl]acetonitrile
• CAS No.: 806605-05-0
• Molecular Formula: C₁₂H₁₆N₂
• Molecular Weight: 188.272
• DSSTox Substance ID: DTXSID10695204
• Nikkaji Number: J3.145.976A
• Wikidata: Q82624309
• Mol file: 806605-05-0.mol

Synonyms:2-[4-(diethylamino)phenyl]acetonitrile;806605-05-0;2-(4-(DIETHYLAMINO)PHENYL)ACETONITRILE;SCHEMBL625871;DTXSID10695204;4-(Diethylamino)benzeneacetonitrile;[4-(Diethylamino)phenyl]acetonitrile;AKOS006310293;CS-0305731;EN300-1843155

Chemical Property of 2-[4-(Diethylamino)phenyl]acetonitrile

Chemical Property:

• Boiling Point: 150 °C(Press: 1 Torr)
• PKA: 6.24±0.32(Predicted)
• PSA: 27.03000
• Density: 1.008±0.06 g/cm3(Predicted)
• LogP: 2.59888
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 188.131348519
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

2-(4-(diethylamino)phenyl)acetonitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[4-(Diethylamino)phenyl]acetonitrile

There total 2 articles about 2-[4-(Diethylamino)phenyl]acetonitrile 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: 91.0%

p-aminophenylacetonitrile (3544-25-0) + ethyl bromide (74-96-4) → 2-((4-diethylamino)phenyl)acetonitrile (806605-05-0)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; for 5.5h; Reflux;

DOI:10.1055/s-0034-1379936

Reference yield:

p-aminophenylacetonitrile (3544-25-0) + ethyl iodide (75-03-6) → 2-((4-diethylamino)phenyl)acetonitrile (806605-05-0)

Guidance literature:

With ethanol; sodium carbonate;

upstream raw materials:

p-aminophenylacetonitrile

ethyl iodide

ethyl bromide