3-(4-Aminophenyl)-2-phenylpropanoic acid

Base Information

• Chemical Name: 3-(4-Aminophenyl)-2-phenylpropanoic acid
• CAS No.: 6318-46-3
• Molecular Formula: C15H15NO2
• Molecular Weight: 241.29
• NSC Number: 31626
• DSSTox Substance ID: DTXSID00283452
• ChEMBL ID: CHEMBL310210
• Mol file: 6318-46-3.mol

Synonyms:3-(4-Aminophenyl)-2-phenylpropanoic acid;6318-46-3;CHEMBL310210;3-(4-Amino-phenyl)-2-phenyl-propionic acid;4-Amino-a-phenyl-benzenepropanoic acid;NSC31626;ChemDiv2_002029;Cambridge id 6973550;Oprea1_360688;DTXSID00283452;XONFDEZWKOHVGX-UHFFFAOYSA-N;HMS1374M05;BDBM50145813;NSC-31626;AKOS001685612;3-(4-Aminophenyl)-2-phenylpropanoicacid;4-Amino-alpha-phenyl-benzenepropanoic acid;3-(4-aminophenyl)-2-phenyl-propanoic acid;3-(4-Aminophenyl)-2-phenylpropanoic acid #;CS-0344220;A50687;Benzenepropanoic acid, 4-amino-.alpha.-phenyl-;Propionic acid, 3-(4-methylphenyl)-2-phenyl-;EN300-1720225

Chemical Property of 3-(4-Aminophenyl)-2-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 3.48E-07mmHg at 25°C
• Boiling Point: 402°C at 760 mmHg
• Flash Point: 196.9°C
• Density: 1.224g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 266

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)C(=O)O

Technology Process of 3-(4-Aminophenyl)-2-phenylpropanoic acid

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

α-Phenyl-4-nitrozimtsaeure (20463-48-3) → 2-phenyl-3-(4-aminophenyl)propionic acid (6318-46-3)

Guidance literature:

With nickel; under 73550.8 Torr; Hydrogenation;

DOI:10.1021/ja01167a015

Reference yield:

(E)-2-phenyl-3-(4-nitrophenyl)propenoic acid (19319-30-3) → 2-phenyl-3-(4-aminophenyl)propionic acid + 2-phenyl-3-(4-aminophenyl)propionic acid (6318-46-3)

Guidance literature:

With 5% Pd/Al₂O₃; cinchonidine; hydrogen; In water; N,N-dimethyl-formamide; at 20 ℃; for 8h; under 750.075 Torr; optical yield given as %ee; enantioselective reaction;

Reference yield:

4-nitrobenzaldehdye (555-16-8) → 2-phenyl-3-(4-aminophenyl)propionic acid + 2-phenyl-3-(4-aminophenyl)propionic acid (6318-46-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic anhydride; triethylamine / Reflux

2: 5% Pd/Al₂O₃; cinchonidine; hydrogen / water; N,N-dimethyl-formamide / 8 h / 20 °C / 750.08 Torr

With 5% Pd/Al₂O₃; cinchonidine; hydrogen; acetic anhydride; triethylamine; In water; N,N-dimethyl-formamide; 1: Perkin condensation;

upstream raw materials:

α-Phenyl-4-nitrozimtsaeure

phenylacetic acid

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

4-nitrobenzaldehdye

Downstream raw materials:

C₁₆H₁₇NO₂