2-Benzoyl-4-chlorobenzoic acid

Base Information

• Chemical Name: 2-Benzoyl-4-chlorobenzoic acid
• CAS No.: 33184-56-4
• Molecular Formula: C14H9ClO3
• Molecular Weight: 260.677
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID20480385
• Nikkaji Number: J88.849D
• Wikidata: Q82315108
• Mol file: 33184-56-4.mol

Synonyms:2-Benzoyl-4-chlorobenzoic acid;33184-56-4;2-Benzoyl-4-chlorobenzoicacid;4-chloro-2-benzoylbenzoic acid;SCHEMBL4712301;DTXSID20480385;SJBXMBRSTWBJRN-UHFFFAOYSA-N

Chemical Property of 2-Benzoyl-4-chlorobenzoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 3.26920
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 260.0240218
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

2-BENZOYL-4-CHLOROBENZOIC ACID 95.00% ^*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=C(C=CC(=C2)Cl)C(=O)O

Technology Process of 2-Benzoyl-4-chlorobenzoic acid

There total 13 articles about 2-Benzoyl-4-chlorobenzoic 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: 84.0%

2-benzoyl-4-chlorobenzonitrile (57892-55-4) → 2-benzoyl-4-chlorobenzoic acid (33184-56-4)

Guidance literature:

With sulfuric acid; In water; for 6h; Heating;

DOI:10.1021/jm00069a011

Reference yield: 58.0%

Benzoylformic acid (611-73-4) + para-chlorobenzoic acid (74-11-3) → 2-benzoyl-4-chlorobenzoic acid (33184-56-4)

Guidance literature:

With palladium(II) trifluoroacetate; silver carbonate; In 1,2-dimethoxyethane; at 150 ℃; for 24h; chemoselective reaction; Sealed tube;

DOI:10.1021/ol400919u

Reference yield: 47.0%

4-chlorophthalic anhydride (118-45-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-benzoyl-4-chlorobenzoic acid (33184-56-4) + 5-chloro-2-(phenylcarbonyl)benzoic acid (1147-42-8)

Guidance literature:

4-chlorophthalic anhydride; benzene; With aluminum (III) chloride; at 0 - 20 ℃; for 40h;

With water; at 0 ℃;

DOI:10.1016/j.bmc.2011.06.059

upstream raw materials:

2-benzoyl-4-chlorobenzonitrile

5-chloro-2-methyl-benzophenone

aluminium trichloride

4-chlorophthalic anhydride

Downstream raw materials:

2-chloroanthracene-9,10-dione

8-Chloro-9b-phenyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindol-5-one

6-chloro-4-phenylphthalazine-1(2H)-one

1,6-dichloro-4-phenylphthalazine