Pentafluorobenzyl acetate

Base Information

• Chemical Name: Pentafluorobenzyl acetate
• CAS No.: 2002-93-9
• Molecular Formula: C9H5F5O2
• Molecular Weight: 240.13
• Mol file: 2002-93-9.mol

Synonyms:2002-93-9;Pentafluorobenzyl acetate;(2,3,4,5,6-pentafluorophenyl)methyl acetate;(Perfluorophenyl)methyl acetate;Benzenemethanol, 2,3,4,5,6-pentafluoro-, 1-acetate;SCHEMBL44341;MFCD29066392;AKOS037622147;(2, 3, 4, 5, 6-pentafluorophenyl)methyl acetate;Benzenemethanol, 2,3,4,5,6-pentafluoro-, acetate

Chemical Property of Pentafluorobenzyl acetate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 240.02097021
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Pentafluorobenzyl acetate

There total 6 articles about Pentafluorobenzyl acetate 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: 58.0%

(2,3,4,5,6-pentafluorophenyl)methanol (440-60-8) + acetic anhydride (108-24-7) → Ethanoic acid pentafluorobenzyl ester (2002-93-9) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe₂O₃; at 20 ℃; for 4.5h;

DOI:10.1016/j.jmmm.2015.10.044

Reference yield:

acetic acid (64-19-7,77671-22-8) + (bromomethyl)pentafluorobenzene (1765-40-8) → Ethanoic acid pentafluorobenzyl ester (2002-93-9)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; In acetone; at 40 - 60 ℃; for 3h;

DOI:10.1021/es970526s

Reference yield:

(2,3,4,5,6-pentafluorophenyl)methanol (440-60-8) + acetic acid (64-19-7,77671-22-8) → Ethanoic acid pentafluorobenzyl ester (2002-93-9)

Guidance literature:

With potassium carbonate; In methanol; for 3h; Heating;

DOI:10.1366/0003702914335193

upstream raw materials:

potassium acetate

(bromomethyl)pentafluorobenzene

acetic acid

(2,3,4,5,6-pentafluorophenyl)methanol

Refernces

• 1、 Chien, Chao-Jung,Charles, M. Judith,Sexton, Kenneth G.,Jeffries, Harvey E.. "Analysis of airborne carboxylic acids and phenols as their pentafluorobenzyl derivatives: Gas chromatography/ion trap mass spectrometry with a novel chemical ionization reagent, PFBOH". . p. 299 - 309. Retrieved 2007/10/03.