Nitrobenzene, 4-(2-cyano-2-phenylethenyl)

Base Information

• Chemical Name: Nitrobenzene, 4-(2-cyano-2-phenylethenyl)
• CAS No.: 7431-35-8
• Molecular Formula: C15H10N2O2
• Molecular Weight: 250.257
• NSC Number: 636951

Synonyms:Nitrobenzene, 4-(2-cyano-2-phenylethenyl);NSC636951;(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enenitrile;7431-35-8;SCHEMBL9247304;WWCOVEKFRJZIDP-GXDHUFHOSA-N;AKOS003398885;NSC-636951;(2Z)-3-(4-nitrophenyl)-2-phenylacrylonitrile;(2Z)-3-(4-Nitrophenyl)-2-phenyl-2-propenenitrile;(Z)-3-(4-nitrophenyl)-2-phenyl-prop-2-enenitrile;(2Z)-3-(4-Nitrophenyl)-2-phenyl-2-propenenitrile #;3-(4-(Hydroxy(oxido)amino)phenyl)-2-phenylacrylonitrile

Chemical Property of Nitrobenzene, 4-(2-cyano-2-phenylethenyl)

Chemical Property:

• Vapor Pressure: 3.59E-06mmHg at 25°C
• Boiling Point: 386.2°Cat760mmHg
• Flash Point: 187.4°C
• Density: 1.265g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.074227566
• Heavy Atom Count: 19
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Nitrobenzene, 4-(2-cyano-2-phenylethenyl)

There total 4 articles about Nitrobenzene, 4-(2-cyano-2-phenylethenyl) 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: 98.0%

phenylacetonitrile (140-29-4) + 4-nitrobenzaldehdye (555-16-8) → 3-(4-nitrophenyl)-2-phenylacrylonitrile (7431-35-8)

Guidance literature:

With methanol; sodium methylate; at 20 ℃; for 2h;

DOI:10.1021/jo900527e

Reference yield: 94.0%

phenylacetonitrile (140-29-4) + 4-nitrobenzaldehdye (555-16-8) → (2Z)-2-(phenyl)-3-(4’-nitrophenyl)acrylonitrile (7431-35-8,10077-28-8,62297-44-3)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃;

DOI:10.1016/j.ejmech.2013.08.031

Reference yield:

4-nitrobenzyl chloride (619-73-8) + phenylacetonitrile (140-29-4) → 3-(4-nitrophenyl)-2-phenylacrylonitrile (7431-35-8) + C15H12N2O2 (42364-26-1)

Guidance literature:

In trifluorotoluene; at 180 ℃; for 16h; Inert atmosphere; Autoclave;

DOI:10.1016/j.jcat.2011.01.029

upstream raw materials:

phenylacetonitrile

4-nitrobenzaldehdye

4-nitrobenzyl chloride

Downstream raw materials:

(Z)-3-(4-aminophenyl)-2-phenylacrylonitrile

2-phenyl-3-(p-aminophenyl)acrylonitrile

(Z)-α-Phenyl-β-nitro-4-nitrocinnamonitril

p-nitrodeoxybenzoin

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