4,4,5,5,5-Pentafluoro-1-phenylpentane-1,3-dione

Base Information

• Chemical Name: 4,4,5,5,5-Pentafluoro-1-phenylpentane-1,3-dione
• CAS No.: 1799-50-4
• Molecular Formula: C11H7F5O2
• Molecular Weight: 266.167
• DSSTox Substance ID: DTXSID70504267
• Nikkaji Number: J1.263.081F
• Wikidata: Q82358632
• Mol file: 1799-50-4.mol

Synonyms:4,4,5,5,5-Pentafluoro-1-phenylpentane-1,3-dione;1799-50-4;1,3-Pentanedione, 4,4,5,5,5-pentafluoro-1-phenyl-;4,4,5,5,5-pentafluoro-1-phenyl-1,3-pentanedione;SCHEMBL1682774;DTXSID70504267;RWGHPGGADGNTKC-UHFFFAOYSA-N;EN300-18560515

Chemical Property of 4,4,5,5,5-Pentafluoro-1-phenylpentane-1,3-dione

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 266.03662027
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4,5,5,5-Pentafluoro-1-phenylpentane-1,3-dione

There total 4 articles about 4,4,5,5,5-Pentafluoro-1-phenylpentane-1,3-dione 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: 43.0%

ethyl Pentafluoropropionate (426-65-3) + acetophenone (98-86-2) → 4,4,5,5,5-pentafluoro-1-phenyl-pentane-1,3-dione (1799-50-4)

Guidance literature:

ethyl Pentafluoropropionate; With sodium methylate; In methanol; diethyl ether; at 0 ℃; for 0.5h;

acetophenone; In methanol; diethyl ether; at 20 ℃; for 16h; Further stages.;

DOI:10.1016/j.tet.2008.06.009

Reference yield:

perfluoropropionic acid methyl ester (378-75-6) + acetophenone (98-86-2) → 4,4,5,5,5-pentafluoro-1-phenyl-pentane-1,3-dione (1799-50-4)

Guidance literature:

With sodium methylate; In diethyl ether;

DOI:10.1021/jo01029a042

Reference yield:

Hexafluoropropene oxide (428-59-1,25038-02-2) + 4-(1-phenylvinyl)morpholine (7196-01-2) → 4,4,5,5,5-pentafluoro-1-phenyl-pentane-1,3-dione (1799-50-4)

Guidance literature:

for 20h; Ambient temperature;

DOI:10.1246/bcsj.55.3345

upstream raw materials:

perfluoropropionic acid methyl ester

acetophenone

Hexafluoropropene oxide

4-(1-phenylvinyl)morpholine

Downstream raw materials:

1,1,1,2,2-pentafluoro-4-phenyl-4-pentyn-2-one

Benzoic acid N'-[(Z)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenyl-pent-2-en-(Z)-ylidene]-N-phenyl-hydrazide

Rh(C₁₁H₆O₂F₅)3