3-(4-Hydroxyphenyl)-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-(4-Hydroxyphenyl)-3-phenylpropanoic acid
• CAS No.: 61904-45-8
• Molecular Formula: C15H14O3
• Molecular Weight: 242.2699
• NSC Number: 31634
• DSSTox Substance ID: DTXSID20283454
• Nikkaji Number: J1.824.698H
• Mol file: 61904-45-8.mol

Synonyms:61904-45-8;3-(4-hydroxyphenyl)-3-phenylpropanoic acid;NSC31634;Oprea1_427854;SCHEMBL3658988;DTXSID20283454;NSC-31634

Chemical Property of 3-(4-Hydroxyphenyl)-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 1.3E-07mmHg at 25°C
• Boiling Point: 414.5°C at 760 mmHg
• Flash Point: 218.6°C
• Density: 1.238g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)C2=CC=C(C=C2)O

Technology Process of 3-(4-Hydroxyphenyl)-3-phenylpropanoic acid

There total 6 articles about 3-(4-Hydroxyphenyl)-3-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:

3-bromo-3-phenylpropionic acid (15463-91-9) + phenol (108-95-2,27073-41-2) → 3-(4-hydroxy-phenyl)-3-phenyl-propionic acid (61904-45-8)

Guidance literature:

With benzene; at 85 - 90 ℃;

Reference yield:

(E)-3-phenylacrylic acid (140-10-3) + methoxybenzene (100-66-3) → 3-(4-methoxyphenyl)-3-phenylpropanoic acid (114327-14-9) + 3-(2-methoxyphenyl)-3-phenylpropanoic acid (124938-00-7) + 3-(4-hydroxy-phenyl)-3-phenyl-propionic acid (61904-45-8) + 3-(2-hydroxy-phenyl)-3-phenyl-propionic acid (61904-46-9)

Guidance literature:

With toluene-4-sulfonic acid; at 125 ℃; for 3h;

DOI:10.1016/j.tetlet.2007.05.059

Reference yield:

(E)-3-phenylacrylic acid (140-10-3) + phenol (108-95-2,27073-41-2) → 3-(4-hydroxy-phenyl)-3-phenyl-propionic acid (61904-45-8)

Guidance literature:

With Fuller's Earth;

upstream raw materials:

3-bromo-3-phenylpropionic acid

benzene

phenol

(E)-3-phenylacrylic acid

Downstream raw materials:

3-(4-acetoxy-phenyl)-3-phenyl-propionic acid

Refernces