3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile

Base Information

• Chemical Name: 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile
• CAS No.: 2958-39-6
• Molecular Formula: C₁₇H₁₄N₂O₄
• Molecular Weight: 310.309
• NSC Number: 201697
• UNII: CZ8XTY62XC
• Nikkaji Number: J3.267.360K
• Mol file: 2958-39-6.mol

Synonyms:3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile;NSC-201697;(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile;5681-27-6;NSC201697;CZ8XTY62XC;Acrylonitrile, 3-(3,4-dimethoxyphenyl)-2-(p-nitrophenyl)-;3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile;3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile, (Z)-;alpha-[(3,4-Dimethoxyphenyl)methylene]-4-nitrobenzeneacetonitrile;(alphaZ)-alpha-[(3,4-Dimethoxyphenyl)methylene]-4-nitrobenzeneacetonitrile;Benzeneacetonitrile, alpha-[(3,4-dimethoxyphenyl)methylene]-4-nitro-, (alphaZ)-;2958-39-6

Chemical Property of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 310.09535693
• Heavy Atom Count: 23
• Complexity: 483

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-])OC

Technology Process of 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile

There total 1 articles about 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile 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: 91.0%

4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) + 3,4-dimethoxy-benzaldehyde (120-14-9) → (Z)-3-(3',4'-dimethoxyphenyl)-2-(4''-nitrophenyl)acrylonitrile (2958-39-6)

Guidance literature:

With sodium ethanolate; In ethanol; at 85 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo2017247

Reference yield: 90.0%

(Z)-3-(3',4'-dimethoxyphenyl)-2-(4''-nitrophenyl)acrylonitrile (2958-39-6) → (2S,3R)-3-(3,4-Dimethoxy-phenyl)-2-(4-nitro-phenyl)-oxirane-2-carbonitrile (112890-50-3)

Guidance literature:

With sodium hypochlorite; In pyridine; at 0 ℃;

Reference yield: 69.0%

(Z)-3-(3',4'-dimethoxyphenyl)-2-(4''-nitrophenyl)acrylonitrile (2958-39-6) → (1R,2R,3S,4S)-2,4-bis(3,4-dimethoxyphenyl)-1,3-bis(4-nitrophenyl)cyclobutane-1,3-dicarbonitrile

Guidance literature:

In toluene; at 20 ℃; for 10h; Wavelength; Solvent; Temperature; Kinetics; Mechanism; Irradiation;

DOI:10.1016/j.tet.2018.10.065

upstream raw materials:

4-Nitrophenylacetonitrile

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

(2S,3R)-3-(3,4-Dimethoxy-phenyl)-2-(4-nitro-phenyl)-oxirane-2-carbonitrile

Methyl 2-cyano-5-(3,4-dimethoxyphenyl)-2-(p-nitrophenyl)tetrahydrofuran-4-carboxylate

Methyl 2-cyano-5-(3,4-dimethoxyphenyl)-2-(p-nitrophenyl)tetrahydrofuran-3-carboxylate

Ethyl 2-cyano-5-(3,4-dimethoxyphenyl)-2-(p-nitrophenyl)-2,5-dihydrofuran-3-carboxylate