3,3,4,4,5,5,5-Heptafluoro-1-phenylpentan-2-one

Base Information

• Chemical Name: 3,3,4,4,5,5,5-Heptafluoro-1-phenylpentan-2-one
• CAS No.: 559-96-6
• Molecular Formula: C11H7F7O
• Molecular Weight: 288.165
• DSSTox Substance ID: DTXSID60550233
• Nikkaji Number: J2.403.771A
• Wikidata: Q82429470

Synonyms:3,3,4,4,5,5,5-Heptafluoro-1-phenylpentan-2-one;559-96-6;DTXSID60550233;NS00110892

Chemical Property of 3,3,4,4,5,5,5-Heptafluoro-1-phenylpentan-2-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 288.03851198
• Heavy Atom Count: 19
• Complexity: 328

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)CC(=O)C(C(C(F)(F)F)(F)F)(F)F

Technology Process of 3,3,4,4,5,5,5-Heptafluoro-1-phenylpentan-2-one

There total 5 articles about 3,3,4,4,5,5,5-Heptafluoro-1-phenylpentan-2-one 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: 24.0%

heptafluorobutyric anhydride (336-59-4) + benzylmagnesium chloride (6921-34-2) → heptafluorobutyric Acid (375-22-4) + 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-one (559-96-6) + 1,1,1,2,2,3,3-heptafluoro-4-phenylbutane (81664-99-5) + 2-Benzyl-3,3,4,4,5,5,5-heptafluoro-1-phenyl-pentan-2-ol (112631-03-5)

Guidance literature:

In diethyl ether; 1,1,2-Trichloro-1,2,2-trifluoroethane; Yield given; Ambient temperature;

DOI:10.1246/cl.1987.433

Reference yield: 24.0%

heptafluorobutyric anhydride (336-59-4) + benzylmagnesium chloride (6921-34-2) → heptafluorobutyric Acid (375-22-4) + 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-one (559-96-6) + 1,1,1,2,2,3,3-heptafluoro-4-phenylbutane (81664-99-5) + 2-Benzyl-3,3,4,4,5,5,5-heptafluoro-1-phenyl-pentan-2-ol (112631-03-5)

Guidance literature:

In 1,1,2-Trichloro-1,2,2-trifluoroethane; Mechanism; Ambient temperature; various nucleophilic substrates investigated;

DOI:10.1246/cl.1987.433

Reference yield: 21.0%

phenylmagnesium bromide (1589-82-8) + heptafluorobutyric anhydride (336-59-4) → 3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-one (559-96-6) + 1,1,1,2,2,3,3-heptafluoro-4-phenylbutane (81664-99-5) + 2-Benzyl-3,3,4,4,5,5,5-heptafluoro-1-phenyl-pentan-2-ol (112631-03-5)

Guidance literature:

In diethyl ether; 1,1,2-Trichloro-1,2,2-trifluoroethane;

DOI:10.1246/cl.1987.433

upstream raw materials:

heptafluorobutyronitrile

benzylmagnesium chloride

phenylmagnesium bromide

heptafluorobutyric anhydride

Downstream raw materials:

(2S)-3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-ol

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