3-(4-Aminophenyl)-2-phenylprop-2-enoic acid

Base Information

• Chemical Name: 3-(4-Aminophenyl)-2-phenylprop-2-enoic acid
• CAS No.: 52873-63-9
• Molecular Formula: C15H13NO2
• Molecular Weight: 239.274
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00351266
• Mol file: 52873-63-9.mol

Synonyms:3-(4-aminophenyl)-2-phenylprop-2-enoic acid;DTXSID00351266;AKOS030246615

Chemical Property of 3-(4-Aminophenyl)-2-phenylprop-2-enoic acid

Chemical Property:

• Vapor Pressure: 2.31E-07mmHg at 25°C
• Boiling Point: 407.3°C at 760 mmHg
• Flash Point: 200.1°C
• PSA: 63.32000
• Density: 1.263g/cm³
• LogP: 3.47520
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 239.094628657
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

98% ^*data from raw suppliers

(2E)-3-(4-Aminophenyl)-2-phenylacrylic acid ^*data from reagent suppliers

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)C(=O)O

Technology Process of 3-(4-Aminophenyl)-2-phenylprop-2-enoic acid

There total 5 articles about 3-(4-Aminophenyl)-2-phenylprop-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:

(E)-2-phenyl-3-(4-nitrophenyl)propenoic acid (19319-30-3) → (2E)-3-(4-aminophenyl)-2-phenylprop-2-enoic acid (52873-63-9)

Guidance literature:

With ammonium hydroxide; iron(II) sulfate;

Reference yield:

4-nitrobenzaldehdye (555-16-8) → (2E)-3-(4-aminophenyl)-2-phenylprop-2-enoic acid (52873-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic anhydride; triethylamine / 95 - 100 °C

2: sodium hydrogen sulfide / methanol / 95 - 100 °C

With sodium hydrogen sulfide; acetic anhydride; triethylamine; In methanol; 1: |Perkin Carboxylic Acid Synthesis;

DOI:10.1016/j.bioorg.2018.11.026

Reference yield:

phenylacetic acid (103-82-2) → (2E)-3-(4-aminophenyl)-2-phenylprop-2-enoic acid (52873-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic anhydride; triethylamine / 95 - 100 °C

2: sodium hydrogen sulfide / methanol / 95 - 100 °C

With sodium hydrogen sulfide; acetic anhydride; triethylamine; In methanol; 1: |Perkin Carboxylic Acid Synthesis;

DOI:10.1016/j.bioorg.2018.11.026

upstream raw materials:

(E)-2-phenyl-3-(4-nitrophenyl)propenoic acid

(2Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid

4-nitrobenzaldehdye

phenylacetic acid

Downstream raw materials:

(2Z)-3-(4-aminophenyl)-2-phenylprop-2-enoic acid