3-oxo-2-phenylbutanenitrile

Base Information

• Chemical Name: 3-oxo-2-phenylbutanenitrile
• CAS No.: 57115-24-9
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.175
• Mol file: 57115-24-9.mol

Synonyms:3-oxo-2-pyridin-2-yl-butyronitrile;

Chemical Property of 3-oxo-2-phenylbutanenitrile

Chemical Property:

• Vapor Pressure: 0.0267mmHg at 25°C
• Boiling Point: 246.7°Cat760mmHg
• Flash Point: 103°C
• PSA: 53.75000
• Density: 1.146g/cm³
• LogP: 1.27778
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

90%,98% ^*data from raw suppliers

3-Oxo-2-(pyridin-2-yl)butanenitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-oxo-2-phenylbutanenitrile

There total 2 articles about 3-oxo-2-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: 29.0%

pyridine-2-acetonitrile (2739-97-1) + acetyl chloride (75-36-5) → 3-oxo-2-(2-pyridyl)butanenitrile (57115-24-9)

Guidance literature:

With sodium ethanolate; In tetrahydrofuran; at 10 ℃; for 16h;

Reference yield:

→ 3-oxo-2-(2-pyridyl)butanenitrile (57115-24-9)

Guidance literature:

2-Cyanomethylpyridin, Acetanhydrid;

DOI:10.1007/BF00497321

Reference yield: 77.0%

cinnamyl acetate (103-54-8) + sodium allyloxide (20907-32-8) + 3-oxo-2-(2-pyridyl)butanenitrile (57115-24-9) → C19H18N2

Guidance literature:

cinnamyl acetate; 3-oxo-2-(2-pyridyl)butanenitrile; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydride; In acetonitrile; Inert atmosphere;

sodium allyloxide; In acetonitrile; Inert atmosphere;

DOI:10.1021/ja205717f

upstream raw materials:

pyridine-2-acetonitrile

acetyl chloride