3-(4-Chlorophenyl)-3-hydroxy-3-phenyl-propanoic acid

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-3-hydroxy-3-phenyl-propanoic acid
• CAS No.: 65565-13-1
• Molecular Formula: C₁₅H₁₃ClO₃
• Molecular Weight: 276.719
• DSSTox Substance ID: DTXSID701237198
• Mol file: 65565-13-1.mol

Synonyms:DTXSID701237198;beta-(-p-Chlorophenyl)-beta-phenylhydracrylic acid;3-(4-chlorophenyl)-3-hydroxy-3-phenyl-propanoic acid;4-Chloro-beta-hydroxy-beta-phenylbenzenepropanoic acid;65565-13-1

Chemical Property of 3-(4-Chlorophenyl)-3-hydroxy-3-phenyl-propanoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.0553220
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(4-Chlorophenyl)-3-hydroxy-3-phenyl-propanoic acid

There total 3 articles about 3-(4-Chlorophenyl)-3-hydroxy-3-phenyl-propanoic 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:

4-chlorobenzophenone (134-85-0) → 3-(4-chlorophenyl)-3-hydroxy-3-phenylpropanoic acid (65565-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc; benzene

With zinc; benzene;

DOI:10.1021/ja01314a051

Reference yield:

ethyl 3-(4-chlorophenyl)-3-hydroxy-3-phenylpropanoate (872269-68-6) → 3-(4-chlorophenyl)-3-hydroxy-3-phenylpropanoic acid (65565-13-1)

Guidance literature:

DOI:10.1021/ja01314a051

Reference yield:

ethyl bromoacetate (105-36-2) + 4-chlorobenzophenone (134-85-0) → 3-(4-chlorophenyl)-3-hydroxy-3-phenylpropanoic acid (65565-13-1)

Guidance literature:

Multistep reaction; (i) Zn, benzene, toluene, (ii) aq. KOH, EtOH;

DOI:10.1139/v68-306

upstream raw materials:

ethyl 3-(4-chlorophenyl)-3-hydroxy-3-phenylpropanoate

ethyl bromoacetate

4-chlorobenzophenone

Downstream raw materials:

(Z)-3-(4-chlorophenyl)-3-phenylacrylic acid

(E)-3-(4-chlorophenyl)-3-phenylacrylic acid

3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-one

2-Chlor-3-(4-chlor-phenyl)-indenon-⁽¹⁾