2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile
• CAS No.: 3261-89-0
• Molecular Formula: C17H15NO2
• Molecular Weight: 265.312
• NSC Number: 405178
• DSSTox Substance ID: DTXSID40323922
• Nikkaji Number: J2.427.367I
• Mol file: 3261-89-0.mol

Synonyms:3261-89-0;NSC 405178;2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile;NSC405178;SCHEMBL6204424;DTXSID40323922;NSC-405178;2-(4-methoxyphenyl)-4-phenyl-4-oxobutyronitrile;2-(4-Methoxyphenyl)-4-phenyl-4-oxobutanenitrile

Chemical Property of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile

Chemical Property:

• Vapor Pressure: 7.77E-09mmHg at 25°C
• Boiling Point: 465.3°C at 760 mmHg
• Flash Point: 202.7°C
• Density: 1.139g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 265.110278721
• Heavy Atom Count: 20
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C#N

Technology Process of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile

There total 10 articles about 2-(4-Methoxyphenyl)-4-oxo-4-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: 99.0%

trimethylsilyl cyanide (7677-24-9) + 3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one (959-33-1) → 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile (3261-89-0)

Guidance literature:

With water; cesium fluoride; In 1,4-dioxane; for 168h; regioselective reaction; Inert atmosphere; Reflux;

DOI:10.1002/cjoc.201090182

Reference yield: 95.0%

trimethylsilyl cyanide (7677-24-9) + trans-4-methoxychalcone (22252-15-9) → 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile (3261-89-0)

Guidance literature:

With Amberlite IRA 900 F; In neat (no solvent); at 60 ℃; for 48h;

DOI:10.1002/adsc.201600287

Reference yield: 91.0%

ethyl 2-cyanoacetate (105-56-6) + 3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one (959-33-1) → 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile (3261-89-0)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 8h;

DOI:10.1002/cjoc.201600860

upstream raw materials:

2-hydroxy-2-methylpropanenitrile

trimethylsilyl cyanide

trans-4-methoxychalcone

3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one

Downstream raw materials:

4-(4-methoxyphenyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one