3,3-Bis(p-chlorophenyl)propionic acid

Base Information

• Chemical Name: 3,3-Bis(p-chlorophenyl)propionic acid
• CAS No.: 2540-35-4
• Molecular Formula: C15H12 Cl2 O2
• Molecular Weight: 295.165
• European Community (EC) Number: 219-816-5
• DSSTox Substance ID: DTXSID40180057
• Nikkaji Number: J192.032D
• Wikidata: Q83050560
• Mol file: 2540-35-4.mol

Synonyms:3,3-Bis(p-chlorophenyl)propionic acid;2540-35-4;EINECS 219-816-5;3,3-bis(4-chlorophenyl)propanoic acid;SCHEMBL3520190;DTXSID40180057;3,3-Bis(4-chlorophenyl)propionic Acid;3.3-Bis(4-chlorophenyl)propionic Acid;2-(4,4'-dichlorobenzhydryl) acetic acid;3,3-Bis-(4-chloro-phenyl)-propionic acid;4-Chloro-beta-(4-chlorophenyl)benzenepropanoic acid

Chemical Property of 3,3-Bis(p-chlorophenyl)propionic acid

Chemical Property:

• Vapor Pressure: 6.71E-08mmHg at 25°C
• Melting Point: 188-189 °C
• Boiling Point: 422.7°Cat760mmHg
• PKA: 4.35±0.10(Predicted)
• Flash Point: 209.4°C
• PSA: 37.30000
• Density: 1.334g/cm³
• LogP: 4.60000
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 294.0214350
• Heavy Atom Count: 19
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CC(=O)O)C2=CC=C(C=C2)Cl)Cl

Technology Process of 3,3-Bis(p-chlorophenyl)propionic acid

There total 35 articles about 3,3-Bis(p-chlorophenyl)propionic 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: 97.0%

3,3-bis(4-chlorophenyl)acrylic acid (19618-36-1) → 3,3-bis-(4-chloro-phenyl)-propionic acid (2540-35-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;

DOI:10.1002/ejoc.201600193

Reference yield: 73.0%

1,1-bis(p-chlorophenyl)ethene (2642-81-1) + cesium formate (3495-36-1) → 3,3-bis-(4-chloro-phenyl)-propionic acid (2540-35-4)

Guidance literature:

With eosin B disodium salt; In dimethyl sulfoxide; at 100 ℃; for 12h; Inert atmosphere; Irradiation;

DOI:10.1021/acscatal.1c04684

Reference yield: 72.0%

4,4'-dichlorobenzophenone (90-97-1) + bromoacetic acid (79-08-3) → 3,3-bis-(4-chloro-phenyl)-propionic acid (2540-35-4)

Guidance literature:

In tetrahydrofuran; nitrogen; water; mineral oil;

upstream raw materials:

3,3-bis(4-chlorophenyl)acrylic acid

trans-2-chlorocinnamic acid

chlorobenzene

3-(4-chlorophenyl)prop-2-enoic acid

Downstream raw materials:

3,3-bis-(4-chloro-phenyl)-propionic acid ethyl ester

3,3-bis(p-chlorophenyl)-propionic acid chloride

2-{4-[(1R,3S)-6-Chloro-3-(4-chloro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol

3,5-Dichloro-1-(4-chloro-phenyl)-indan

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