p-Chloroperbenzoic acid

Base Information

• Chemical Name: p-Chloroperbenzoic acid
• CAS No.: 937-22-4
• Molecular Formula: C7H5ClO3
• Molecular Weight: 172.568
• European Community (EC) Number: 213-324-4
• DSSTox Substance ID: DTXSID10239541
• Nikkaji Number: J167.593A
• Wikidata: Q83121917
• Mol file: 937-22-4.mol

Synonyms:p-Chloroperbenzoic acid;4-chloroperbenzoic acid;937-22-4;EINECS 213-324-4;4-chloroperoxybenzoic acid;SCHEMBL160814;DTXSID10239541;FT-0699336

Chemical Property of p-Chloroperbenzoic acid

Chemical Property:

• Vapor Pressure: 0.000411mmHg at 25°C
• Boiling Point: 303.4°Cat760mmHg
• Flash Point: 137.3°C
• Density: 1.434g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.9927217
• Heavy Atom Count: 11
• Complexity: 141

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(=O)OO)Cl

Technology Process of p-Chloroperbenzoic acid

There total 7 articles about p-Chloroperbenzoic 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%

4-chlorobenzaldehyde (104-88-1) → p-chloroperbenzoic acid (937-22-4)

Guidance literature:

With 2-hydroxy-1H-benzo[f]isoindole-1,3(2H)-dione; In acetonitrile; at 20 ℃; for 12h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2021.153320

Reference yield: 83.5%

para-chlorobenzoic acid (74-11-3) → p-chloroperbenzoic acid (937-22-4)

Guidance literature:

With potassium peroxomonosulphate; AG 50W-X₈; N-benzyl-N,N,N-triethylammonium chloride; In diethyl ether; water; at 20 ℃; for 15h;

Reference yield:

para-chlorotoluene (106-43-4) → p-chloroperbenzoic acid (937-22-4) + para-chlorobenzoic acid (74-11-3)

Guidance literature:

With anthraquinone-2-carboxylic acid; oxygen; In ethyl acetate; for 20h; Irradiation; Green chemistry;

DOI:10.1016/j.tetlet.2015.12.027

upstream raw materials:

bis(4-chlorobenzoyl)peroxide

sodium methylate

acetic anhydride

4-chlorobenzaldehyde

Downstream raw materials:

2-(difluoro(4-fluorophenyl)methyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-(methylsulfonyl-methyl)quinazolin-4-amine

4-(4-chlorobenzylsulfinyl)-1-hydroxypyrrolo[1,2-d][1.2.4]triazine

Diphenylmethylencarbamoyl-p-chlor-benzoperoxid

p-Chlorobenzoyl-p-toluolsulfonylperoxid

Refernces

• 1、 Taguchi, Miyabi,Nagasawa, Yoshitomo,Yamaguchi, Eiji,Tada, Norihiro,Miura, Tsuyoshi,Itoh, Akichika. "One-pot epoxidation of alkenes using aerobic photoperoxidation of toluenes". supporting information. p. 230 - 232. Retrieved 2015/12/31.
• 2、 Palei,Sorokina,Krasil'nikova,Kolomiets. "PREPARATION OF CHLOROPERBENZOIC ACIDS.". . p. 1014 - 1017. Retrieved 2007/10/02.