Perfluoroisobutyryl fluoride

Base Information

• Chemical Name: Perfluoroisobutyryl fluoride
• CAS No.: 677-84-9
• Molecular Formula: C4F8O
• Molecular Weight: 216.031
• DSSTox Substance ID: DTXSID60447694
• Nikkaji Number: J1.904.577C
• Wikidata: Q81985982
• Mol file: 677-84-9.mol

Synonyms:perfluoroisobutyryl fluoride;677-84-9;heptafluoroisobutyryl fluoride;PERFLUORO(2-METHYLPROPANOYL)FLUORIDE;2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoyl Fluoride;perfluoroisobutryl fluoride;FCOCF(CF3)2;SCHEMBL1608943;DTXSID60447694;AKOS037621533;2-(Trifluoromethyl)tetrafluoropropanoyl fluoride;Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-

Chemical Property of Perfluoroisobutyryl fluoride

Chemical Property:

• PSA: 17.07000
• LogP: 2.31540
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 215.98213992
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Perfluoroisobutyryl fluoride

There total 9 articles about Perfluoroisobutyryl fluoride 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: 77.0%

Carbonyl fluoride (353-50-4) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → perfluoroisobutyryl fluoride (677-84-9) + 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one (813-44-5)

Guidance literature:

at 190 ℃; for 14h;

Reference yield: 43.3%

2-methyl-3-pyrrolidin-1-yl-propionic acid methyl ester (4151-03-5) → perfluorobutane (355-25-9) + perfluoroisobutyryl fluoride (677-84-9) + 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoro-propanoyl fluoride (122531-26-4) + perfluoro(N-propylpyrrolidine) (53708-07-9)

Guidance literature:

With hydrogen fluoride; at 7 - 8 ℃; for 8.08333h; Further byproducts given; electrochemical reaction; anodic current density of 3.5 A dm^-2, a cell voltage of 6.5 V - 6.7 V;

DOI:10.1016/0022-1139(93)03019-I

Reference yield: 36.4%

methyl β-(dimethylamino)isobutyrate (10205-34-2) → perfluoropropanoyl fluoride (422-61-7) + perfluoroisobutyryl fluoride (677-84-9) + perfluoro(N,N-dimethyl-n-propylamine) (103217-78-3) + 2-[[bis(trifluoromethyl)amino]-difluoro-methyl]-2,3,3,3-tetrafluoro-propanoyl fluoride

Guidance literature:

With hydrogen fluoride; at 7 - 8 ℃; for 9.91667h; Further byproducts given; electrochemical reaction; anodic current density of 3.5 A dm^-2, a cell voltage of 6.1 V - 6.3 V;

DOI:10.1016/0022-1139(93)03019-I

upstream raw materials:

perfluoro(2,4-dimethyl-3-heptene) oxide

2-methyl-3-pyrrolidin-1-yl-propionic acid methyl ester

methyl β-(dimethylamino)isobutyrate

methyl 2-methyl-3-(N,N-diethylamino)propionate

Downstream raw materials:

1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one

fluorobenzene

chlorobenzene

nonafluoroisobutyl methyl ether

Refernces

• 1、 Ignat'ev, Nikolai V.,Welz-Biermann, Urs,Heider, Udo,Kucheryna, Andriy,von Ahsen, Stefan,Habel, Wolfgang,Sartori, Peter,Willner, Helge. "Carbon-chain isomerization during the electrochemical fluorination in anhydrous hydrogen fluoride - A mechanistic study". . p. 21 - 37. Retrieved 2007/10/03.
• 2、 Zapevalov, A. Ya.,Filyakova, T. I.,Kolenko, I. P.,Peschanskii, N. V.,Kodess, M. I.. "SYNTHESIS AND TRANSFORMATIONS OF PERFLUORO(2,4-DIMETHYL-3-HEPTENE) OXIDE". . p. 2066 - 2071. Retrieved 2007/10/02.