4,4'-Dichlorobenzilic acid

Base Information

• Chemical Name: 4,4'-Dichlorobenzilic acid
• CAS No.: 23851-46-9
• Molecular Formula: C14H10 Cl2 O3
• Molecular Weight: 297.138
• Hs Code.: 2918199090
• UNII: ETW245A2J9
• DSSTox Substance ID: DTXSID80178554
• Nikkaji Number: J34.378A
• Wikidata: Q27119855
• Metabolomics Workbench ID: 56296
• Mol file: 23851-46-9.mol

Synonyms:4,4'-dichlorobenzilic acid

Chemical Property of 4,4'-Dichlorobenzilic acid

Chemical Property:

• Vapor Pressure: 2.22E-09mmHg at 25°C
• Boiling Point: 463.2°Cat760mmHg
• Flash Point: 234°C
• PSA: 57.53000
• Density: 1.469g/cm³
• LogP: 3.31390
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 296.0006996
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4'-Dichlorobenzilic acid

There total 9 articles about 4,4'-Dichlorobenzilic 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: 90.0%

carbon dioxide (124-38-9,18923-20-1) + 4,4'-Dichlorobenzophenone (90-98-2) → bis(4-chlorophenyl)(hydroxy)acetic acid (23851-46-9)

Guidance literature:

With Tetrapropylammonium chloride; In acetonitrile; at 20 ℃; for 10h; under 760.051 Torr; Reagent/catalyst; Solvent; Electrochemical reaction;

DOI:10.14233/ajchem.2021.23090

Reference yield: 88.0%

chlorobenzilate (510-15-6) → bis(4-chlorophenyl)(hydroxy)acetic acid (23851-46-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 2h; Ambient temperature;

DOI:10.1021/jf9802934

Reference yield: 68.0%

4,4'-dichlorobenzil (3457-46-3,88372-92-3) → bis(4-chlorophenyl)(hydroxy)acetic acid (23851-46-9)

Guidance literature:

With potassium hydroxide; at 80 ℃; for 6h;

upstream raw materials:

chloro-bis-(4-chloro-phenyl)-acetyl chloride

4,4'-dichlorobenzil

carbon dioxide

4,4'-Dichlorobenzophenone

Downstream raw materials:

4,4'-Dichlorobenzophenone

3-[2,2-Bis-(4-chloro-phenyl)-2-hydroxy-acetylamino]-propionic acid

chlorobenzilate

Refernces

• 1、 Beasley, Helen L.,Phongkham, Thipsavanh,Daunt, Margaret H.,Guihot, Simone L.,Skerritt, John H.. "Development of a Panel of Immunoassays for Monitoring DDT, Its Metabolites, and Analogues in Food and Environmental Matrices". . p. 3339 - 3352. Retrieved 2007/10/03.
• 2、 Ikeda, Yoshikazu,Manda, Eiichiro. "Syntheses of Benzilic Acids through Electrochemical Reductive Carboxylation of Benzophenones in the Presence of Carbon Dioxide". . p. 1723 - 1726. Retrieved 2007/10/02.