5,5,6,6-Tetrafluorohexane-2,4-dione

Base Information

• Chemical Name: 5,5,6,6-Tetrafluorohexane-2,4-dione
• CAS No.: 59857-63-5
• Molecular Formula: C6H6F4O2
• Molecular Weight: 186.106
• DSSTox Substance ID: DTXSID90500701
• Nikkaji Number: J1.310.060H
• Wikidata: Q82352538

Synonyms:59857-63-5;5,5,6,6-Tetrafluorohexane-2,4-dione;1,1,2,2-Tetrafluoro-3,5-hexanedione;2,4-Hexanedione, 5,5,6,6-tetrafluoro-;SCHEMBL11516189;DTXSID90500701

Chemical Property of 5,5,6,6-Tetrafluorohexane-2,4-dione

Chemical Property:

• Boiling Point: 164.5±35.0 °C(Predicted)
• PSA: 34.14000
• Density: 1.292±0.06 g/cm3(Predicted)
• LogP: 1.43500
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 186.03039208
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5,5,6,6-Tetrafluorohexane-2,4-dione

There total 1 articles about 5,5,6,6-Tetrafluorohexane-2,4-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:

1,1,2,2-tetrafluoro-5-(N-methylamino)-hex-4-en-3-one (72721-37-0) → 5,5,6,6-tetrafluoro-hexane-2,4-dione (59857-63-5) + methylamine hydrochloride (593-51-1)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; Rate constant; Mechanism;

DOI:10.1007/BF00957999

Reference yield: 93.0%

5,5,6,6-tetrafluoro-hexane-2,4-dione (59857-63-5) + 2-Hydrazino-4-(3,4-dihydroxyphenyl)thiazole hydrochloride (73004-38-3) → 1-<4-(3,4-Dihydroxyphenyl)thiazol-2-yl>-3-methyl-5-tetrafluoroethylpyrazole (75013-45-5)

Guidance literature:

With hydrogenchloride; In ethanol; for 5h; Heating;

DOI:10.1007/BF00780180

Reference yield: 56.0%

5,5,6,6-tetrafluoro-hexane-2,4-dione (59857-63-5) + 1,2-diamino-4-phenyl[1H]imidazole (15970-40-8) → 5-[(Z)-2-Amino-4-phenyl-imidazol-1-ylimino]-1,1,2,2-tetrafluoro-hexan-3-one (85780-27-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 3h; Heating;

upstream raw materials:

1,1,2,2-tetrafluoro-5-(N-methylamino)-hex-4-en-3-one

Downstream raw materials:

1-<4-(3,4-Dihydroxyphenyl)thiazol-2-yl>-3-methyl-5-tetrafluoroethylpyrazole

5-[(Z)-2-Amino-4-phenyl-imidazol-1-ylimino]-1,1,2,2-tetrafluoro-hexan-3-one

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