387-89-3

Basic information

• Product Name: 2-(TRIFLUOROACETYL)CYCLOHEXANONE
• Synonyms: 2-(TRIFLUOROACETYL)CYCLOHEXANONE;AKOS B029513;2-(2,2,2-trifluoroacetyl)cyclohexanone;2-(2,2,2-trifluoroethanoyl)cyclohexan-1-one;2-(trifluoroacetyl)cyclohexan-1-one
• CAS NO: 387-89-3
• Molecular Formula: C₈H₉F₃O₂
• Molecular Weight: 194.15
• Mol File: 387-89-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 219.3°Cat760mmHg
• Flash Point: 72.9°C
• Appearance: /
• Density: 1.289g/cm³
• Vapor Pressure: 0.12mmHg at 25°C
• Refractive Index: 1.411
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 7.80±0.20(Predicted)
• CAS DataBase Reference: 2-(TRIFLUOROACETYL)CYCLOHEXANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TRIFLUOROACETYL)CYCLOHEXANONE(387-89-3)
• EPA Substance Registry System: 2-(TRIFLUOROACETYL)CYCLOHEXANONE(387-89-3)

Safety Data

• Hazardous Substances Data: 387-89-3(Hazardous Substances Data)

Usage

Uses

2-(2,2,2-Trifluoroacetyl)cyclohexanone is a useful reactant for the synthesis of fluorinated 1-?desazapurines.

InChI:InChI=1/C8H9F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h5H,1-4H2

Upstream product

• 431-47-0 trifluoroacetic acid-methyl ester 
• 108-94-1 cyclohexanone 
• 383-63-1 ethyl trifluoroacetate, 
• 1190405-04-9 3,3-difluoro-5,6,7,8-tetrahydro-4-(trifluoromethyl)benzo[d]-1,3,2-dioxaborine 
• 123-11-5 4-methoxy-benzaldehyde 

Downstream Products

• 240121-55-5 2-(6-oxo-7,7,7-trifluoroheptyl)benzimidazole 
• 256954-38-8 4-trifluoromethyl-5,6,7,8-tetrahydro-quinazolin-2-ylamine 
• 890005-22-8 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole 
• 479499-12-2 6-trifluoroacetyl-2-(E)-(p-methoxybenzylidene)cyclohexanone 

Relevant articles and documents

2-oxadiazole-3-aminothiophene thieno-[2,3-b] pyridine derivative and preparing method and application thereof

The invention belongs to the field of chemical pharmaceuticals, and particularly relates to a 2-oxadiazole-3-aminothiophene thieno-[2,3-b] pyridine derivative and a preparing method and application thereof. The structure of the 2-oxadiazole-3-aminothiophene thieno-[2,3-b] pyridine derivative is shown in the formula I. A compound of the 2-oxadiazole-3-aminothiophene thieno-[2,3-b] pyridine derivative has the good HCV inhibitory effect, and meanwhile shows the low cytotoxicity, and a new method is provided for development of an anti-HCV inhibitor. The general formula is defined in the description.

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.

Metal and boron derivatives of fluorinated cyclic 1,3-dicarbonyl compounds

Starting from the corresponding cyclic 1,3-diketones or other precursors (cyclic ketones as well as lactones), several new salts and chelate complexes of fluorinated 1,3-dicarbonyls were obtained. Their preparative significance was demonstrated by straigh