2-(p-Nitrophenyl)-3-phenylacrylonitrile

Base Information

• Chemical Name: 2-(p-Nitrophenyl)-3-phenylacrylonitrile
• CAS No.: 3695-95-2
• Molecular Formula: C15H10N2O2
• Molecular Weight: 250.257
• Mol file: 3695-95-2.mol

Synonyms:F 2391;BRN 2055915;2-(p-Nitrophenyl)-3-phenylacrylonitrile;Benzal-(4'-nitro-benzyl-cyanid) [German];Propenenitrile, 2-(4-nitrophenyl)-3-phenyl-;Benzal-(4'-nitro-benzyl-cyanid);3695-95-2;ACRYLONITRILE, 2-(p-NITROPHENYL)-3-PHENYL-;4-09-00-02609 (Beilstein Handbook Reference);(Z)-2-(4-nitrophenyl)-3-phenyl-prop-2-enenitrile

Chemical Property of 2-(p-Nitrophenyl)-3-phenylacrylonitrile

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

Technology Process of 2-(p-Nitrophenyl)-3-phenylacrylonitrile

There total 9 articles about 2-(p-Nitrophenyl)-3-phenylacrylonitrile 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%

4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) + benzaldehyde (100-52-7) → (Z)-2-(4-nitrophenyl)-3-phenylacrylonitrile (3695-95-2)

Guidance literature:

With L-proline; In dimethyl sulfoxide; at 25 ℃; for 11h;

DOI:10.1016/j.tetlet.2010.07.131

Reference yield: 99.0%

4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) + benzaldehyde (100-52-7) → 2-(4-nitrophenyl)-3-phenylacrylonitrile (3695-95-2)

Guidance literature:

With 18-crown-6 ether; graphitic carbon nitride; In toluene; at 25 ℃; for 0.5h;

DOI:10.1039/c7ra03051g

Reference yield:

C19H20N3O2(1-)*H(1+) → (Z)-2-(4-nitrophenyl)-3-phenylacrylonitrile (3695-95-2) + N-butylamine (109-73-9,85404-21-3)

Guidance literature:

In water; dimethyl sulfoxide; at 20 ℃; Rate constant;

DOI:10.1021/ja00351a038

upstream raw materials:

sodium ethanolate

4-Nitrophenylacetonitrile

benzaldehyde

C₁₉H₁₈N₃O₃^(1-)*H⁽¹⁺⁾