Allyl pentafluorophenyl ether

Base Information

• Chemical Name: Allyl pentafluorophenyl ether
• CAS No.: 33104-02-8
• Molecular Formula: C9H5 F5 O
• Molecular Weight: 224.13
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID50377815
• Nikkaji Number: J1.183.292J
• Wikidata: Q82167172
• Mol file: 33104-02-8.mol

Synonyms:Allyl pentafluorophenyl ether;33104-02-8;Allyloxypentafluorobenzene;1,2,3,4,5-pentafluoro-6-prop-2-enoxybenzene;1,2,3,4,5-pentafluoro-6-(prop-2-en-1-yloxy)benzene;Allylpentafluorophenylether;pentafluorophenyl allyl ether;SCHEMBL5954786;DTXSID50377815;AKOS007930769;1,2,3,4,5-Pentafluoro-6-(allyloxy)benzene

Chemical Property of Allyl pentafluorophenyl ether

Chemical Property:

• Vapor Pressure: 0.736mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 59°C/12mm
• Flash Point: 75.6°C
• PSA: 9.23000
• Density: 1.378g/cm³
• LogP: 2.94690
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 224.02605559
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

98%Min ^*data from raw suppliers

ALLYLOXY PENTAFLUOROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Allyl pentafluorophenyl ether

There total 4 articles about Allyl pentafluorophenyl ether 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: 85.0%

Hexafluorobenzene (392-56-3) + allyl alcohol (107-18-6) → 1-(allyloxy)-2,3,4,5,6-pentafluorobenzene (33104-02-8)

Guidance literature:

allyl alcohol; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.333333h;

Hexafluorobenzene; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1021/jacs.8b09156

Reference yield: 64.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + allyl bromide (106-95-6) → 1-(allyloxy)-2,3,4,5,6-pentafluorobenzene (33104-02-8)

Guidance literature:

2,3,4,5,6-pentafluorophenol; With sodium hydroxide; In water; at 40 ℃; for 0.5h;

allyl bromide; With Aliquat 336; In water; at 40 ℃;

DOI:10.1039/c4ra15108a

Reference yield: 60.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + 3-chloroprop-1-ene (107-05-1) → 1-(allyloxy)-2,3,4,5,6-pentafluorobenzene (33104-02-8)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydroxide; at 44 ℃; for 6h;

DOI:10.1016/S0022-1139(00)85021-6

upstream raw materials:

2,3,4,5,6-pentafluorophenol

3-chloroprop-1-ene

allyl bromide

Hexafluorobenzene

Downstream raw materials:

2,3,5,6-tetrafluorobenzonitrile