Methyl Pentadecafluoroheptyl Ketone

Base Information

• Chemical Name: Methyl Pentadecafluoroheptyl Ketone
• CAS No.: 754-85-8
• Molecular Formula: C9H3F15O
• Molecular Weight: 412.1
• Hs Code.: 2914700090
• European Community (EC) Number: 678-428-8
• DSSTox Substance ID: DTXSID50504109
• Nikkaji Number: J1.530.743I
• Wikidata: Q82358374
• Mol file: 754-85-8.mol

Synonyms:Methyl Pentadecafluoroheptyl Ketone;754-85-8;1H,1H,1H-Pentadecafluoro-2-nonanone;3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-one;Methyl Perfluoroheptyl Ketone;SCHEMBL2124778;DTXSID50504109;1H,1H,1H-Perfluoro-2-nonanone;MFCD07368460;AKOS015852826;CS-0455515;NS00019234;P1452;T72908;3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluoro-2-nonanone

Chemical Property of Methyl Pentadecafluoroheptyl Ketone

Chemical Property:

• Vapor Pressure: 4.31mmHg at 25°C
• Refractive Index: 1.286
• Boiling Point: 57 °C
• Flash Point: 51.4°C
• PSA: 17.07000
• Density: 1.69
• LogP: 4.94950
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 6
• Exact Mass: 411.9944371
• Heavy Atom Count: 25
• Complexity: 528

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl Pentadecafluoroheptyl Ketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl Pentadecafluoroheptyl Ketone

There total 4 articles about Methyl Pentadecafluoroheptyl Ketone 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: 76.0%

Perfluorooctanoic acid (335-67-1) + methylmagnesium bromide (75-16-1) → 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-one (754-85-8)

Guidance literature:

DOI:10.1016/S0040-4039(98)01355-0

Reference yield: 22.0%

Perfluorooctanoic acid (335-67-1) + methylmagnesium bromide (75-16-1) → 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-one (754-85-8) + 2-methyl-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-ol

Guidance literature:

In diethyl ether; for 2h; Heating;

DOI:10.1016/S0022-1139(00)85119-2

Reference yield:

Perfluorooctanoic acid (335-67-1) → 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-one (754-85-8)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1) ether, 2) Et₂O, reflux;

DOI:10.1021/j100195a038

upstream raw materials:

Perfluorooctanoic acid

methylmagnesium bromide

Downstream raw materials:

3,5-Bis-pentadecafluoroheptyl-1-phenyl-1H-pyrazole

di F-heptyl-3,5 hydroxy-5 phenyl-1 Δ² pyrazoline

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadecan-8,10-dione

Refernces

• 1、 Guo, Wen,Li, Zhong,Fung, B. M.,O'Rear, E. A.,Harwell, J. H.. "Hybrid Surfactants Containing Separate Hydrocarbon and Fluorocarbon Chains". . p. 6738 - 6742. Retrieved 1992.
• 2、 Croxtal, Ben,Fawcett, John,Hope, Eric G.. "Synthesis and coordination chemistry of perfluoroalkyl-derivatised β-diketonates". . p. 65 - 73. Retrieved 2007/10/03.