(4-Fluorobenzoyl) 4-fluorobenzenecarboperoxoate

Base Information

• Chemical Name: (4-Fluorobenzoyl) 4-fluorobenzenecarboperoxoate
• CAS No.: 582-92-3
• Molecular Formula: C14H8F2O4
• Molecular Weight: 278.212
• European Community (EC) Number: 611-640-0
• DSSTox Substance ID: DTXSID00497138
• Nikkaji Number: J885.896I
• Mol file: 582-92-3.mol

Synonyms:582-92-3;p-fluorobenzoyl peroxide;(4-fluorobenzoyl) 4-fluorobenzenecarboperoxoate;SCHEMBL11127178;DTXSID00497138;4-Fluoro-benzenecarboperoxoic acid 4-fluoro-benzoyl ester

Chemical Property of (4-Fluorobenzoyl) 4-fluorobenzenecarboperoxoate

Chemical Property:

• Vapor Pressure: 1.01E-05mmHg at 25°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 278.03906506
• Heavy Atom Count: 20
• Complexity: 311

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Fluorobenzoyl) 4-fluorobenzenecarboperoxoate

There total 4 articles about (4-Fluorobenzoyl) 4-fluorobenzenecarboperoxoate 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: 95.0%

4-Fluorobenzoic acid (456-22-4) → 4-fluorobenzoic peroxyanhydride (582-92-3)

Guidance literature:

With Eosin Y; triphenylphosphine; In N,N-dimethyl-formamide; at 20 ℃; Irradiation;

Reference yield: 85.0%

4-fluorobenzoyl chloride (403-43-0) → 4-fluorobenzoic peroxyanhydride (582-92-3)

Guidance literature:

With dihydrogen peroxide; In diethyl ether; water; for 0.166667h;

DOI:10.1021/ol900756g

Reference yield:

p-fluorotoluene (352-32-9) → 4-fluorobenzoic peroxyanhydride (582-92-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous sulfuric acid; lead (IV)-oxide-anodes

2: thionyl chloride

3: diethyl ether; barium peroxid octahydrate

With thionyl chloride; barium peroxide; diethyl ether; sulfuric acid;

DOI:10.1002/hlca.193301601142

upstream raw materials:

4-fluorobenzoyl chloride

p-fluorotoluene

4-Fluorobenzoic acid

Downstream raw materials:

N-(tert-butyl)-4-fluorobenzamide

3-(4-fluorophenyl)-1-methylquinoxalin-2(1H)-one

2-(4-fluorophenyl)-5-phenyl-2H-tetrazole

fluorobenzene