(E)-4-Cyano-4'-nitrostilbene

Base Information

• Chemical Name: (E)-4-Cyano-4'-nitrostilbene
• CAS No.: 74518-94-8
• Molecular Formula: C15H10N2O2
• Molecular Weight: 250.27
• DSSTox Substance ID: DTXSID101032697
• Nikkaji Number: J1.746.311J,J613.181F
• Mol file: 74518-94-8.mol

Synonyms:74518-94-8;(E)-4-(2-(4-Nitrophenyl)ethenyl)benzonitrile;(E)-4-Cyano-4'-nitrostilbene;TRANS-4'-TERT-BUTYL-4-NITROSTILBENE;Benzonitrile, 4-(2-(4-nitrophenyl)ethenyl)-, (E)-;CCRIS 8541;DTXSID101032697

Chemical Property of (E)-4-Cyano-4'-nitrostilbene

Chemical Property:

• Vapor Pressure: 3.16E-07mmHg at 25°C
• Boiling Point: 418.9°Cat760mmHg
• Flash Point: 207.1°C
• Density: 1.26g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.074227566
• Heavy Atom Count: 19
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)[N+](=O)[O-])C#N
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C#N

Technology Process of (E)-4-Cyano-4'-nitrostilbene

There total 13 articles about (E)-4-Cyano-4'-nitrostilbene 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: 83.0%

diethyl p-nitrobenzylphosphonate (2609-49-6) + 4-cyanobenzaldehyde (105-07-7) → (E)-4-[2-(4-nitrophenyl)ethenyl]benzonitrile (74518-94-8)

Guidance literature:

With sodium ethanolate; In ethanol; for 0.5h; Ambient temperature;

DOI:10.1021/jm00183a014

Reference yield: 76.0%

4-nitrobenzaldehdye (555-16-8) + para-methylbenzonitrile (104-85-8) → (E)-4-[2-(4-nitrophenyl)ethenyl]benzonitrile (74518-94-8)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; for 5h; Ambient temperature;

Reference yield: 70.0%

(p-nitrobenzyl)triphenylphosphonium bromide (2767-70-6) + 4-cyanobenzaldehyde (105-07-7) → (E)-4-[2-(4-nitrophenyl)ethenyl]benzonitrile (74518-94-8)

Guidance literature:

(p-nitrobenzyl)triphenylphosphonium bromide; 4-cyanobenzaldehyde;

With iodine; In ethyl acetate; Heating;

DOI:10.1016/0165-1218(94)90024-8

upstream raw materials:

4-nitrobenzaldehdye

para-methylbenzonitrile

(4-nitrobenzylidene)triphenylphosphorane

4-cyanobenzaldehyde

Downstream raw materials:

4-[2-(4-aminophenyl)ethenyl]benzonitrile

trans-4'-cyano-4-acetamidostilbene