3,3,4,4,4-Pentafluorobutan-2-one

Base Information

• Chemical Name: 3,3,4,4,4-Pentafluorobutan-2-one
• CAS No.: 374-41-4
• Molecular Formula: C4H3F5O
• Molecular Weight: 162.059
• Hs Code.: 2914700090
• European Community (EC) Number: 674-871-6
• NSC Number: 42726
• DSSTox Substance ID: DTXSID90285748
• Nikkaji Number: J909.759G
• Wikidata: Q81985640
• Mol file: 374-41-4.mol

Synonyms:3,3,4,4,4-pentafluorobutan-2-one;374-41-4;Methyl pentafluoroethyl ketone;Methylpentafluoroethyl ketone;Methyl perfluoroethyl ketone;C4H3F5O;NSC42726;Pentafluoroethylmethyl ketone;pentafluoroethyl methyl ketone;SCHEMBL430486;DTXSID90285748;BBL101866;MFCD03094116;NSC-42726;STL555663;3,3,4,4,4-Pentafluorobutan-2-on;AKOS005258745;3-Oxo-1,1,1,2,2-pentafluorobutane;MS-20302;FT-0613985;EN300-42786;A823653

Chemical Property of 3,3,4,4,4-Pentafluorobutan-2-one

Chemical Property:

• Vapor Pressure: 549mmHg at 25°C
• Refractive Index: 1.286
• Boiling Point: 33.6 °C at 760 mmHg
• PSA: 17.07000
• Density: 1.361 g/cm³
• LogP: 1.77300
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 162.01040553
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

3,3,4,4,4-Pentafluorobutan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3,4,4,4-Pentafluorobutan-2-one

There total 10 articles about 3,3,4,4,4-Pentafluorobutan-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: 43.0%

perfluoro-2-methylpent-2-ene (1584-03-8) → 1,1,1,3,3,3-hexafluoropropane (690-39-1) + 3,3,4,4,4-pentafluorobutan-2-one (374-41-4) + (Z)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene (22146-75-4) + (E)-2H-nonafluoro-2-pentene (22146-76-5)

Guidance literature:

With water; triethylamine; In acetonitrile; at 45 - 60 ℃; for 5h;

DOI:10.1016/S0022-1139(03)00145-3

Reference yield:

1,1,1,2,2-pentafluorobutyne (7096-51-7) + sulfuric acid (7664-93-9) + mercury(II) sulfate → 1,1,1,2,2-pentafluoroethane (354-33-6) + 3,3,4,4,4-pentafluorobutan-2-one (374-41-4) + 3,3,4,4,4-pentafluorobutanoic acid (380-60-9) + methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5)

Guidance literature:

at 110 ℃;

DOI:10.1039/jr9520003483

Reference yield:

dibutyl ether (142-96-1) + pentafluoropropionic acid (422-64-0) → 2-methyl-3,3,4,4,4-pentafluorobutan-2-ol (374-46-9) + 3,3,4,4,4-pentafluorobutan-2-one (374-41-4)

Guidance literature:

With methyl magnesium iodide;

DOI:10.1021/ja01591a065

upstream raw materials:

1,1,1,2,2-pentafluorobutyne

dibutyl ether

pentafluoropropionic acid

3,3,4,4,4-Pentafluoro-2-butanol

Downstream raw materials:

3,3,4,4,4-Pentafluoro-2-butanol

1,1,1,2,2-pentafluoro-3-methyl-pentan-3-ol

1-bromo-3,3,4,4,4-pentafluoro-2-butanone

C₁₁H₁₀F₅NO