2-(3,4-Dichlorobenzoyl)benzoic acid

Base Information

• Chemical Name: 2-(3,4-Dichlorobenzoyl)benzoic acid
• CAS No.: 52187-03-8
• Molecular Formula: C14H8Cl2O3
• Molecular Weight: 295.122
• Hs Code.: 2918300090
• European Community (EC) Number: 660-174-4
• DSSTox Substance ID: DTXSID80355181
• Wikidata: Q82133901
• Mol file: 52187-03-8.mol

Synonyms:2-(3,4-dichlorobenzoyl)benzoic acid;52187-03-8;2-[(3,4-dichlorophenyl)carbonyl]benzoic acid;2-(*oyl)benzoic Acid;o-(3,4-Dichlorobenzoyl)benzoic Acid;2-(3,4-Dichloro-benzoyl)-benzoic acid;Benzoic acid, 2-(3,4-dichlorobenzoyl)-;Cambridge id 5301555;Oprea1_617190;Oprea1_861949;SCHEMBL1443365;DTXSID80355181;ASSUNYJRBMKLBJ-UHFFFAOYSA-N;2-(3,4-dichlorobenzoyl)benzoicacid;AC8857;MFCD00156968;STK396699;AKOS000592226;CS-W012162;BS-50521;SY185754;[(3,4-dichlorophenyl)carbonyl]benzoic acid;FT-0666545;EN300-69813;AB00079375-01;Z57209981

Chemical Property of 2-(3,4-Dichlorobenzoyl)benzoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 3.92260
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.9850495
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

2-(*oyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O
• Uses: 2-(3,4-Dichlorobenzoyl)benzoic Acid is used for the synthesis of some new phthalides derivatives which show variable antibacterial activity against Staphylococcus aureus and Escherichia coli Used for the synthesis of some new phthalides derivatives which show variable antibacterial activity against Staphylococcus aureus and Escherichia coli.

Technology Process of 2-(3,4-Dichlorobenzoyl)benzoic acid

There total 3 articles about 2-(3,4-Dichlorobenzoyl)benzoic 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: 75.0%

phthalic anhydride (85-44-9) + 1,2-dichloro-benzene (95-50-1) → 2-(3',4'-dichlorobenzoyl)benzoic acid (52187-03-8)

Guidance literature:

With aluminium trichloride; 1.) reflux, 1 h, 2.) room temperature, overnight;

DOI:10.1135/cccc19931937

Reference yield:

2-(4'-chloro-3'-nitrobenzoyl)benzoic acid (85-54-1) → 2-(3',4'-dichlorobenzoyl)benzoic acid (52187-03-8)

Guidance literature:

With iodine; chlorine; nitrobenzene; at 170 - 180 ℃;

Reference yield:

→ 2-(3',4'-dichlorobenzoyl)benzoic acid (52187-03-8)

Guidance literature:

phthalic anhydride, o-dichlorobenzene, AlCl3, 90-95gradC;

upstream raw materials:

2-(4'-chloro-3'-nitrobenzoyl)benzoic acid

phthalic anhydride

1,2-dichloro-benzene

Downstream raw materials:

1,2-dichloro-anthraquinone

2,3-dichloro-anthraquinone

4-(3,4-dichloro-phenyl)-2-methyl-2H-phthalazin-1-one

Refernces

• 1、 El-Farargy, Ahmed,Yassin, Fathi,Hafez, Taghrid. "BEHAVIOUR OF -3-(4-CHLOROPHENYL)-2-PROPEN-1-ONE TOWARDS DIFFERENT NUCLEOPHILES". . p. 1937 - 1943. Retrieved 2007/10/02.