Benzenecarboperoxoic acid, 2-carboxy-

Base Information

• Chemical Name: Benzenecarboperoxoic acid, 2-carboxy-
• CAS No.: 2311-91-3
• Molecular Formula: C8H6 O5
• Molecular Weight: 182.133
• European Community (EC) Number: 219-003-5
• NSC Number: 240744
• UNII: Z3STZ5UZ5P
• DSSTox Substance ID: DTXSID3075200
• Nikkaji Number: J7.393H
• Wikidata: Q82003216
• ChEMBL ID: CHEMBL1162414
• Mol file: 2311-91-3.mol

Synonyms:monoperphthalic acid;perphthalate

Chemical Property of Benzenecarboperoxoic acid, 2-carboxy-

Chemical Property:

• Vapor Pressure: 2.3E-07mmHg at 25°C
• Boiling Point: 407.3°Cat760mmHg
• Flash Point: 173.4°C
• PSA: 83.83000
• Density: 1.507g/cm³
• LogP: 1.01460
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 182.02152329
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)OO

Technology Process of Benzenecarboperoxoic acid, 2-carboxy-

There total 6 articles about Benzenecarboperoxoic acid, 2-carboxy- 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: 76.9%

phthalic anhydride (85-44-9) → monoperoxyphthalic acid (2311-91-3)

Guidance literature:

phthalic anhydride; With dihydrogen peroxide; sodium carbonate; In water; at -5 - 0 ℃; for 0.5h;

With sulfuric acid; In water; ethyl acetate;

Reference yield:

phthalic anhydride (85-44-9) → monoperoxyphthalic acid (2311-91-3) + bis-(2-carboxy-benzoyl)-peroxide (37051-42-6)

Guidance literature:

With alkaline H₂O₂;

Reference yield:

phthalic anhydride (85-44-9) + dihydrogen peroxide (7722-84-1) → monoperoxyphthalic acid (2311-91-3) + bis-(2-carboxy-benzoyl)-peroxide (37051-42-6)

Guidance literature:

unter Eiskuehlung;

upstream raw materials:

phthalic anhydride

dihydrogen peroxide

bis-(2-carboxy-benzoyl)-peroxide

Downstream raw materials:

1-phenylpropylene oxide

chloromethyl phenyl sulfone

propionic acid anhydride

2-cyclohexyl-3-phenyl-oxirane

Refernces

• 1、 Liang, Yu-Yan,Huang, Huan,Li, Yang,Du, Rong-Kai,Li, Jing,Liu, Yong-Hong,Li, Shan,Zhang, Lei. "Efficient synthesis of cholic acid derivates through stereoselective C–H functionalization from hyodeoxycholic acid". . . Retrieved 2020.
• 2、 Kim, Dahye,Shi, Gaosheng,Kim, Yunji,Koo, Sangho. "Fast Assembly and High-Throughput Screening of Structure and Antioxidant Relationship of Carotenoids". supporting information. p. 714 - 718. Retrieved 2019/01/25.
• 3、 -. "N-ARYLSULFONYL-3-AMINOALKOXYINDOLES". Page 53. . Retrieved 2008/06/13.