360-34-9

Basic information

• Product Name: 1,1,1-Trifluoro-2-hexanone
• Synonyms: 1,1,1-Trifluoro-2-hexanone
• CAS NO: 360-34-9
• Molecular Formula: C₆H₉F₃O
• Molecular Weight: 154.13
• Mol File: 360-34-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 104.4°C at 760 mmHg
• Flash Point: 32.8°C
• Appearance: /
• Density: 1.092g/cm³
• Vapor Pressure: 30.9mmHg at 25°C
• Refractive Index: 1.349
• CAS DataBase Reference: 1,1,1-Trifluoro-2-hexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-Trifluoro-2-hexanone(360-34-9)
• EPA Substance Registry System: 1,1,1-Trifluoro-2-hexanone(360-34-9)

Safety Data

• Hazardous Substances Data: 360-34-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H9F3O/c1-2-3-4-5(10)6(7,8)9/h2-4H2,1H3

Upstream product

• 109-72-8 n-butyllithium 
• 431-47-0 trifluoroacetic acid-methyl ester 
• 32730-83-9 1-(2-iodophenyl)pentan-1-one 
• 383-63-1 ethyl trifluoroacetate, 
• 26672-80-0 1-(4-(dimethylamino)phenyl)pentan-1-one 
• 30611-20-2 1-(4-cyanophenyl)-1-pentanone 
• 1701-72-0 1-(pyridin-3-yl)pentan-1-one 
• 53119-25-8 1-(thiophen-2-yl)pentan-1-one 
• 3194-17-0 1-furan-2-yl-pentan-1-one 
• 2876-60-0 1-(naphthalen-1-yl)pentan-1-one 
• 131379-19-6 Ethyl 4-(1-oxopentyl)benzoate 
• 1671-76-7 p-Methoxyvalerophenon 
• 1671-77-8 n-butyl p-tolyl ketone 
• 42916-70-1 1-(2-chlorophenyl)-pentan-1-one 

Downstream Products

• 134166-52-2 l-3-<1-(trifluoromethyl)-1-hydroxypentyl>cyclohexene 
• 141779-30-8 1-butyl-1-(trifluoroacetyl)cyclohexane 
• 1357382-97-8 C₁₃H₁₆F₃NO 
• 127700-47-4 C₂₄H₂₄F₃N₂P 
• 138824-22-3 4-hexadecyloxybiphenyl-4'-carboxylic acid-4''-(3-trifluoromethylheptyl)phenyl ester 
• 138824-21-2 4-dodecyloxybiphenyl-4'-carboxylic acid-4''-(3-trifluoromethylheptyl)phenyl ester 
• 138824-20-1 4-decyloxybiphenyl-4'-carboxylic acid-4''(3-trifluoromethylheptyl)phenyl ester 
• 138824-19-8 4'-Octyloxy-biphenyl-4-carboxylic acid 4-(3-trifluoromethyl-heptyl)-phenyl ester 
• 138824-31-4 4-(5-Heptyl-pyrimidin-2-yl)-benzoic acid 4-(3-trifluoromethyl-heptyl)-phenyl ester 
• 138824-18-7 4-hexyloxybiphenyl-4'-carboxylic acid-4''-(3-trifluoromethylheptyl)phenyl ester 
• 138824-29-0 4-(4-Octyl-cyclohexyl)-benzoic acid 4-(3-trifluoromethyl-heptyl)-phenyl ester 
• 138824-17-6 4-heptylbiphenyl-4'-carboxylic acid-4''-(3-trifluoromethylheptyl)phenyl ester 
• 138995-10-5 4-(3-trifluoromethylheptanoyl)anisole 
• 138995-11-6 4-(3-trifluoromethylheptyl)-anisole 

Relevant articles and documents

Highly selective trifluoroacetic ester/ketone metathesis: An efficient approach to trifluoromethyl ketones and esters

A highly selective and atom efficient 'trifluoroacetic ester/ketone metathesis' has been sincerely witnessed. Enolizable alkyl (at least two non-hydrogen atoms) aryl ketones were found to react readily with ethyl trifluoroacetate under the promotion of NaH to afford trifluoroacetic ester/ketone exchange products, trifluoromethyl ketones (TFMKs), and aromatic acid esters, which were quite different from the general Claisen condensation products, 1,3-diketones. The outcome of the reaction between ketone and ethyl trifluoroacetate is strongly related to the structures of substrates, the steric congestion caused by alkyl group is in favor of the C-C bond cleavage. DFT investigation further disclosed that the metathesis reaction was a kinetically favored pathway. Using only a slight excess of cheap trifluoromethylation reagent, simple operation and mild conditions make it a practical method for preparation of TFMKs on large scale, as well as a new choice of converting aryl alkyl ketones to aromatic acid esters.