2-Cyano-3-(4-nitrophenyl)prop-2-enoic acid

Base Information

• Chemical Name: 2-Cyano-3-(4-nitrophenyl)prop-2-enoic acid
• CAS No.: 60951-74-8
• Molecular Formula: C10H6N2O4
• Molecular Weight: 218.169
• DSSTox Substance ID: DTXSID80711440
• Mol file: 60951-74-8.mol

Synonyms:2-Cyano-3-(4-nitrophenyl)prop-2-enoic acid;60951-74-8;DTXSID80711440

Chemical Property of 2-Cyano-3-(4-nitrophenyl)prop-2-enoic acid

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 218.03275668
• Heavy Atom Count: 16
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Cyano-3-(4-nitrophenyl)prop-2-enoic acid

There total 2 articles about 2-Cyano-3-(4-nitrophenyl)prop-2-enoic acid 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: 88.5%

4-nitrobenzaldehdye (555-16-8) + cyanoacetic acid (372-09-8) → 2-cyano-3-(4'-nitro-1'-phenyl)acrylic acid (60951-74-8)

Guidance literature:

hexan-1-amine; In benzene; for 2h; Heating; azeotropic water removal;

DOI:10.1016/S0040-4020(01)91880-0

Reference yield:

→ 2-cyano-3-(4'-nitro-1'-phenyl)acrylic acid (60951-74-8)

Guidance literature:

p-Nitro-benzaldehyd, Cyanessigsaeure, Piperidin;

Reference yield: 42.0%

morpholine (110-91-8,99108-56-2) + 2-cyano-3-(4'-nitro-1'-phenyl)acrylic acid (60951-74-8) → (Z)-2-(Morpholine-4-carbonyl)-3-(4-nitro-phenyl)-acrylonitrile

Guidance literature:

With triethylamine; trichlorophosphate; In dichloromethane; at 0 - 20 ℃; for 6.5h;

upstream raw materials:

4-nitrobenzaldehdye

cyanoacetic acid

Downstream raw materials:

2-cyano-3-(4-nitrophenyl)-2-propenoic acid ethyl ester