3,3,4,4,5,5,5-Heptafluoropentan-2-one

Base Information

• Chemical Name: 3,3,4,4,5,5,5-Heptafluoropentan-2-one
• CAS No.: 355-17-9
• Molecular Formula: C5H3F7O
• Molecular Weight: 212.067
• Hs Code.: 2914700090
• European Community (EC) Number: 206-577-7
• UNII: EV8XCB6RSQ
• DSSTox Substance ID: DTXSID00188993
• Nikkaji Number: J193.839H
• Wikidata: Q81985516
• Mol file: 355-17-9.mol

Synonyms:Methyl heptafluoropropyl ketone;355-17-9;3,3,4,4,5,5,5-Heptafluoropentan-2-one;methyl heptafluoropropylketone;EV8XCB6RSQ;3,3,4,4,5,5,5-Heptafluoro-2-pentanone;EINECS 206-577-7;2-Pentanone, 3,3,4,4,5,5,5-heptafluoro-;METHYLHEPTAFLUOROPROPYLKETONE;HFK-447mcc;UNII-EV8XCB6RSQ;heptafluoropropyl methyl ketone;SCHEMBL196246;DTXSID00188993;BBL101889;MFCD00042079;STL555686;AKOS009157892;AS-60759;FT-0628736;EN300-42787;A822846;3,3,4,4,5,5,5-Heptafluoro-2-pentanone, 97%

Chemical Property of 3,3,4,4,5,5,5-Heptafluoropentan-2-one

Chemical Property:

• Boiling Point: 57.3 °C at 760 mmHg
• Flash Point: 7.8 °C
• PSA: 17.07000
• Density: 1.447 g/cm³
• LogP: 2.40830
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 212.00721185
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

MethylHeptafluoropropylKetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3,4,4,5,5,5-Heptafluoropentan-2-one

There total 10 articles about 3,3,4,4,5,5,5-Heptafluoropentan-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: 15.0%

(heptafluoro n-propyl) magnesiumiodide (423-25-6) + acetyl chloride (75-36-5) → 1,1-di-(perfluoro n-propyl) ethanol-(1) (375-86-0) + heptafluoropropyl methyl ketone (355-17-9)

Guidance literature:

In further solvent(s); reaction in n-butyl ether at -20°C, 3 hours, stirring for 24 hours, warming to 20°C within 12 - 15 hours and heating to 50°C, 0.5 hours;;

Reference yield: 12.0%

(heptafluoro n-propyl) magnesiumiodide (423-25-6) + ethyl acetate (141-78-6) → 3,3,4,4,5,5,5-heptafluoro-2-pentanol (375-14-4,85571-83-1) + 1,1-di-(perfluoro n-propyl) ethanol-(1) (375-86-0) + heptafluoropropyl methyl ketone (355-17-9)

Guidance literature:

In further solvent(s); addition of the grignard solution to the ester (solution in n-butyl ether) at -50°C, stirring at -40°C, 24 hours, warming to 20°C within 24 hours and stirring for 24 hours;;

Reference yield:

diethyl ether (60-29-7,927820-24-4) + ethyl acetate (141-78-6) → 3,3,4,4,5,5,5-heptafluoro-2-pentanol (375-14-4,85571-83-1) + 1,1-di-(perfluoro n-propyl) ethanol-(1) (375-86-0) + heptafluoropropyl methyl ketone (355-17-9)

Guidance literature:

DOI:10.1111/j.1467-842X.2001.tb00592.x

upstream raw materials:

methyl magnesium iodide

heptafluorobutyric Acid

3,3,4,4,5,5,5-heptafluoro-2-pentanol

(2,2,3,3,4,4,4-heptafluorobutanoyl)acetic acid ethyl ester

Downstream raw materials:

1,1,1,2,2,3,3-heptafluoro-4-methylpentan-4-ol

(1E)-3-(perfluoropropyl)-1-phenyl-2-azabut-1,3-diene

t-butyl 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxy-1-methylbutyl)-2-methylcarbanilate

bisphenylhydrazone of methylpentafluoroethylglyoxal