4-(4-CYANOPHENYL)-4-OXOBUTYRONITRILE

Base Information

• Chemical Name: 4-(4-CYANOPHENYL)-4-OXOBUTYRONITRILE
• CAS No.: 898767-45-8
• Molecular Formula: C₁₁H₈N₂O
• Molecular Weight: 184.197
• Hs Code.: 2926909090
• Mol file: 898767-45-8.mol

Synonyms:4-(4-CYANOPHENYL)-4-OXOBUTYRONITRILE

Chemical Property of 4-(4-CYANOPHENYL)-4-OXOBUTYRONITRILE

Chemical Property:

• Vapor Pressure: 1.35E-07mmHg at 25°C
• Boiling Point: 429.9°C at 760 mmHg
• Flash Point: 213.8°C
• PSA: 64.65000
• Density: 1.17g/cm³
• LogP: 2.04476

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Cyanophenyl)-4-oxobutyronitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-CYANOPHENYL)-4-OXOBUTYRONITRILE

There total 7 articles about 4-(4-CYANOPHENYL)-4-OXOBUTYRONITRILE 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: 88.0%

acrylonitrile (107-13-1,25014-41-9) + 4-cyanobenzaldehyde (105-07-7) → 4-(3-cyano-propionyl)-benzonitrile (898767-45-8)

Guidance literature:

With Cu doped graphitic carbon nitride; In water; at 20 ℃; for 8h; Sealed tube; Irradiation; Green chemistry;

DOI:10.1002/ejoc.202000945

Reference yield: 74.0%

4-(1-((tert-butyldimethylsilyl)oxy)vinyl)benzonitrile + chloroacetonitrile (107-14-2) → 4-(3-cyano-propionyl)-benzonitrile (898767-45-8)

Guidance literature:

4-(1-((tert-butyldimethylsilyl)oxy)vinyl)benzonitrile; chloroacetonitrile; With 2,6-dimethylpyridine; potassium 5-bromo-1H-indole-1-carbodithioate; In acetonitrile; at 25 ℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;

With trifluoroacetic acid; In chloroform; acetonitrile; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201915814

Reference yield: 57.0%

4-ethenylbenzonitrile (3435-51-6) + acetonitrile (75-05-8,26809-02-9) → 4-(3-cyano-propionyl)-benzonitrile (898767-45-8)

Guidance literature:

With tert.-butylhydroperoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In decane; at 110 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.orglett.6b02692

upstream raw materials:

4-ethenylbenzonitrile

acetonitrile

S-(2-pyridinyl) 4-cyanobenzenecarbothioate

acrylonitrile