4,4,5,5,6,6,7,7-Octafluoro-1-phenylheptane-1,3-dione

Base Information

• Chemical Name: 4,4,5,5,6,6,7,7-Octafluoro-1-phenylheptane-1,3-dione
• CAS No.: 63166-36-9
• Molecular Formula: C₁₃H₈F₈O₂
• Molecular Weight: 348.193
• DSSTox Substance ID: DTXSID90426033
• Wikidata: Q82239010

Synonyms:4,4,5,5,6,6,7,7-octafluoro-1-phenylheptane-1,3-dione;63166-36-9;DTXSID90426033;AKOS005221621

Chemical Property of 4,4,5,5,6,6,7,7-Octafluoro-1-phenylheptane-1,3-dione

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 348.03965479
• Heavy Atom Count: 23
• Complexity: 455

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4,4,5,5,6,6,7,7-Octafluoro-1-phenylheptane-1,3-dione

There total 1 articles about 4,4,5,5,6,6,7,7-Octafluoro-1-phenylheptane-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:

methyl 2,2,3,3,4,4,5,5-octafluoropentanoate (54822-22-9) + acetophenone (98-86-2) → 1-Phenyl-4,4,5,5,6,6,7,7-octafluor-1,3-heptandion (63166-36-9)

Guidance literature:

With sodium ethanolate;

Reference yield: 55.0%

1-Phenyl-4,4,5,5,6,6,7,7-octafluor-1,3-heptandion (63166-36-9) + cyanoacetic acid amide (107-91-5) → 4-(1,1,2,2,3,3,4,4-octafluoro-butyl)-2-oxo-6-phenyl-1,2-dihydro-pyridine-3-carbonitrile (417701-80-5)

Guidance literature:

With ammonium acetate; In ethanol; for 6h; Heating;

DOI:10.1023/A:1012455709358

Reference yield: 40.0%

1-Phenyl-4,4,5,5,6,6,7,7-octafluor-1,3-heptandion (63166-36-9) → (Z)-3-Amino-4,4,5,5,6,6,7,7-octafluoro-1-phenyl-hept-2-en-1-one + (Z)-1-Amino-4,4,5,5,6,6,7,7-octafluoro-1-phenyl-hept-1-en-3-one

Guidance literature:

With ammonium acetate; In methanol;

upstream raw materials:

methyl 2,2,3,3,4,4,5,5-octafluoropentanoate

acetophenone

Downstream raw materials:

4-(1,1,2,2,3,3,4,4-octafluoro-butyl)-2-oxo-6-phenyl-1,2-dihydro-pyridine-3-carbonitrile

2-chloro-4-(1,1,2,2,3,3,4,4-octafluoro-butyl)-6-phenyl-nicotinonitrile

2-(2-hydroxy-ethylamino)-4-(1,1,2,2,3,3,4,4-octafluoro-butyl)-6-phenyl-nicotinonitrile

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