5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-en-2-one

Base Information

• Chemical Name: 5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-en-2-one
• CAS No.: 1422-36-2
• Molecular Formula: C6H4 F6 O
• Molecular Weight: 206.088
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60467236
• Nikkaji Number: J1.162.001I
• Mol file: 1422-36-2.mol

Synonyms:5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-one;1422-36-2;3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-;DTXSID60467236;NXASNTUMEFAWRZ-UHFFFAOYSA-N;bistrifluoromethylvinyl methyl ketone;AKOS024263163;CS-0446313;5,5,5-Trifluoro-4-trifluoromethyl-pent-3-en-2-one;5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-en-2-one,97% min.;5,5,5-TRIFLUORO-4-(TRIFLUOROMETHYL)PENT-3-EN-2-ONE, 97per cent MIN.

Chemical Property of 5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-en-2-one

Chemical Property:

• Vapor Pressure: 1.84mmHg at 25°C
• Refractive Index: 1.328
• Boiling Point: 165.9°C at 760 mmHg
• Flash Point: 59.4°C
• PSA: 17.07000
• Density: 1.365g/cm³
• LogP: 2.62640
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 206.01663372
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99%, ^*data from raw suppliers

5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-en-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-en-2-one

There total 2 articles about 5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-en-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: 92.0%

Hexafluoroacetone (684-16-2) + 1-triphenylphosphoranylidene-2-propanone (1439-36-7) → 5,5,5-trifluoro-4-(trifluoromethyl)penta-3-ene-2-one (1422-36-2)

Guidance literature:

With hydroquinone; at 20 ℃;

DOI:10.1016/j.jfluchem.2006.07.007

Reference yield: 2.3%

Hexafluoroacetone (684-16-2) + 1-triphenylphosphoranylidene-2-propanone (1439-36-7) → 5,5,5-trifluoro-4-(trifluoromethyl)penta-3-ene-2-one (1422-36-2) + 5,5-Bis(trifluormethyl)-2-<2,2,2-trifluor-1-(trifluormethyl)ethyl>tetrahydrofuran-3-on

Guidance literature:

With hydroquinone;

Reference yield: 99.0%

5,5,5-trifluoro-4-(trifluoromethyl)penta-3-ene-2-one (1422-36-2) → 5,5,5-trifluoro-4-trifluoromethyl-4-bromo-pentane-2-one

Guidance literature:

With hydrogen bromide; at 20 ℃; for 1h;

DOI:10.1016/S0022-1139(97)00033-X

upstream raw materials:

Hexafluoroacetone

1-triphenylphosphoranylidene-2-propanone

Downstream raw materials:

1,1-Bis-trifluormethyl-2-benzamino-butanon-⁽³⁾

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