89820-00-8

Basic information

• Product Name: 3-octylthio-1,1,1-trifluoro-2-propanone
• Synonyms: 3-octylthio-1,1,1-trifluoro-2-propanone;1,1,1-Trifluoro-3-(octylthio)-2-propanone;1,1,1-Trifluoro-4-thiadodecane-2-one;OTFP;2-Propanone,1,1,1-trifluoro-3-(octylthio)-
• CAS NO: 89820-00-8
• Molecular Formula: C11H19 F3 O S
• Molecular Weight: 256.33
• Mol File: 89820-00-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 262.8°C at 760 mmHg
• Flash Point: 112.7°C
• Appearance: /
• Density: 1.078g/cm³
• Vapor Pressure: 0.0107mmHg at 25°C
• Refractive Index: 1.43
• CAS DataBase Reference: 3-octylthio-1,1,1-trifluoro-2-propanone(CAS DataBase Reference)
• NIST Chemistry Reference: 3-octylthio-1,1,1-trifluoro-2-propanone(89820-00-8)
• EPA Substance Registry System: 3-octylthio-1,1,1-trifluoro-2-propanone(89820-00-8)

Safety Data

• Hazardous Substances Data: 89820-00-8(Hazardous Substances Data)

Usage

General Description

3-octylthio-1,1,1-trifluoro-2-propanone is a chemical compound that belongs to the class of ketones. It is commonly used as a reagent in organic synthesis and as a precursor in the preparation of various pharmaceuticals and agrochemicals. 3-octylthio-1,1,1-trifluoro-2-propanone is characterized by its trifluoromethyl group, which imparts unique chemical properties, making it a valuable building block in the synthesis of complex organic molecules. Additionally, its octylthio moiety provides it with lipophilic properties, making it suitable for use in pharmaceutical formulations that require enhanced membrane permeability. This chemical is also used in the production of specialty chemicals and is an important intermediate in the discovery of new drug candidates.

InChI:InChI=1/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3

Upstream product

• 3698-95-1 methyl octyl sulfide 
• 383-63-1 ethyl trifluoroacetate, 
• 431-35-6 3-bromo-1,1,1-trifluoroacetone 
• 111-88-6 Octanethiol 

Relevant articles and documents

New fluorinated derivatives as esterase inhibitors. Synthesis, hydration and crossed specificity studies

A variety of new fluorinated chemicals have been prepared for the first time and tested as inhibitors of esterases, one of the main enzymes involved in pheromone catabolism, in two economically important pests, the Egyptian armyworm Spodoptera littoralis (SL) and the Mediterranean corn borer Sesamia nonagrioides (SN). Using the respective major component of the pheromone as substrate, the Km and Vmax of the antennal esterase of both insects resulted to be 5.66×10-4 M and 8.47×10-6 Mmin-1 for SL and 1.61×10-7 M and 1.25×10-7 Mmin-1 for SN, pointing out that SN esterase has a higher affinity for its corresponding substrate than SL. In general, the trifluoromethyl ketones (TFMKs) exhibited higher inhibitory potency than the corresponding difluoromethyl ketones (DFMKs) or difluoroaldehydes (DFAs). The compounds appeared to hydrate differently in aqueous solution, the extent of hydration following the order: α,α-DFMKshyd and the inhibitory potency and no specificity has been found when the chemicals were assayed on extracts of both insects.

Asymmetric reduction of trifluoromethyl ketones containing a sulfur functionality by the alcohol dehydrogenase from Geotrichum

The reduction of trifluoromethyl ketones containing a sulfur functionality by the crude alcohol dehydrogenase from Geotrichum proceeded successfully, and the corresponding optically active alcohols were synthesized with high yields and excellent enantiose