Perflisopent

Base Information

• Chemical Name: Perflisopent
• CAS No.: 594-91-2
• Molecular Formula: C5F12
• Molecular Weight: 288.036
• UNII: 40FAQ8ON24
• DSSTox Substance ID: DTXSID9074721
• Nikkaji Number: J108.153E
• Wikidata: Q27258324
• NCI Thesaurus Code: C166708
• ChEMBL ID: CHEMBL2107082
• Mol file: 594-91-2.mol

Synonyms:Perflisopent;perfluoro-2-methylbutane;594-91-2;Perflisopent [USAN];Perflisopent [USAN:INN];UNII-40FAQ8ON24;Butane, nonafluoro-2-(trifluoromethyl)-;40FAQ8ON24;Butane, 1,1,1,2,3,3,4,4,4-nonafluoro-2-(trifluoromethyl)-;Nonafluoro-2-(trifluoromethyl)butane;Butane, 1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)-;1,1,1,2,2,3,4,4,4-Nonafluoro-3-(trifluoromethyl)butane;PERFLUOROISOPENTANE;perfluoro-2-methyl-butane;Perflisopent (USAN/INN);PERFLISOPENT [INN];DODECAFLUOROISOPENTANE;PERFLISOPENT [MART.];SCHEMBL814397;CHEMBL2107082;DTXSID9074721;C5F12;MOLI000989;D05438;Q27258324;1,1,1,2,2,3,4,4,4-Nonafluoro-3-(trifluoromethyl)butane #

Chemical Property of Perflisopent

Chemical Property:

• Vapor Pressure: 599mmHg at 25°C
• Boiling Point: 31.6°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.63g/cm³
• LogP: 4.01690
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 1
• Exact Mass: 287.9808379
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

PERFLISOPENT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
• Uses: Diagnostic aid. [Note—The trademark EchoGen Emulsion has been selected for the mixture of Perflenapent and Perflisopent in a ratio of 85:15, respectively.].

Technology Process of Perflisopent

There total 24 articles about Perflisopent 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: 90.4%

1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane (1514-90-5) → perfluoroisopentane (594-91-2)

Guidance literature:

With fluorine; sodium fluoride; In N,N-dimethyl-formamide; at 20 - 170 ℃; for 9.5h; Autoclave; Inert atmosphere;

Reference yield: 62.5%

2,2-dimethylpropyl bromide (630-17-1) → perfluoroisobutylene (354-92-7) + perfluoroisopentane (594-91-2)

Guidance literature:

With fluorine; for 2h; Product distribution; Irradiation; var. F/hydrocarbon mole ratio, without irradiation;

DOI:10.1021/jo00173a035

Reference yield: 39.0%

1-chloro-2-methylbutane (616-13-7) → perfluoroisopentane (594-91-2) + 1-Chloro-F-2-methylbutane (90398-72-4)

Guidance literature:

With fluorine; at -35 - 0 ℃; Mechanism; Product distribution; Irradiation; steady-state flow process; the hydrocarbon vapor is condensed onto a NaF preaerosol and then subjected to attack by an excess of elemental F in He at first in the dark, then under UV irradiation;

DOI:10.1021/jo00189a014

upstream raw materials:

2,2-dimethylpropane

methylbutane

2,4-lutidine

perfluoropropylene

Refernces

• 1、 Huang, Hsu-Nan,Lagow, Richard J.. "Synthesis of Functional Perfluorinated Resins, Branched Perfluorinated Ethers and Perfluoroalkanoyl Fluorides". . p. 871 - 875. Retrieved 2007/10/02.
• 2、 Adcock, James L.,Evans, William D.,Heller-Grossman, Lilly. "Aerosol Direct Fluorination Syntheses: Alkyl Halides, Neopentyl Chloride and Bromide, Free Radicals vs. Carbocations". . p. 4953 - 4957. Retrieved 2007/10/02.