2366-70-3

Basic information

• Product Name: 4,4,4-TRIFLUOROBUTAN-2-ONE
• Synonyms: 4,4,4-TRIFLUOROBUTAN-2-ONE;4,4,4-TRIFLUORO-2-BUTANONE;Trifluorobutanone2;4,4,4-Trifluorobutan-2-one 97%;4,4,4-Trifluorobutan-2-one97%;4,4,4-Trifluorobut-2-one;4,4,4-trifluoro-2-butanone(SALTDATA: FREE);(Trifluoromethyl)acetone, 3-Oxo-1,1,1-trifluorobutane
• CAS NO: 2366-70-3
• Molecular Formula: C₄H₅F₃O
• Molecular Weight: 126.08
• Mol File: 2366-70-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 95-96°C
• Flash Point: 37°C
• Appearance: solid or liquid
• Density: 1.05
• Vapor Pressure: 326mmHg at 25°C
• Refractive Index: 1.313
• CAS DataBase Reference: 4,4,4-TRIFLUOROBUTAN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4,4-TRIFLUOROBUTAN-2-ONE(2366-70-3)
• EPA Substance Registry System: 4,4,4-TRIFLUOROBUTAN-2-ONE(2366-70-3)

Safety Data

• Hazard Codes: Xi,F
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39
• RIDADR: UN1224
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 2366-70-3(Hazardous Substances Data)

Usage

Description

4,4,4-Trifluorobutan-2-one is an organic compound characterized by its clear colorless liquid appearance. It is a derivative of butanone with three fluorine atoms attached to the fourth carbon atom, which imparts unique chemical properties to the molecule.

Uses

Used in Pharmaceutical Industry:
4,4,4-Trifluorobutan-2-one is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs and medicinal compounds. Its unique chemical structure allows for the development of novel therapeutic agents with potential applications in treating a wide range of medical conditions.
The specific application reason for 4,4,4-Trifluorobutan-2-one in the pharmaceutical industry is its ability to serve as a key building block in the synthesis of complex molecules with potential therapeutic properties. Its fluorinated nature may also contribute to enhanced pharmacokinetic and pharmacodynamic profiles of the resulting drug candidates.

InChI:InChI=1/C4H5F3O/c1-3(8)2-4(5,6)7/h2H2,1H3

Upstream product

• 108-22-5 Isopropenyl acetate 
• 421-83-0 trifluoromethane sulfonyl chloride 
• 791616-87-0 (E)-1,1,1,3-tetrafluoro-2-butene 
• 1524-26-1 4,4,4-trifluorobutene 

Downstream Products

• 101054-93-7 4,4,4-trifluoro-2-butanol 
• 887781-86-4 2-(4-bromophenyl)-4,4,4-trifluorobutan-2-ol 
• 700-44-7 6-methoxysalicylaldehyde 
• 1320360-01-7 C₁₂H₁₁F₃O₃ 

Relevant articles and documents

Rapid access to β-trifluoromethyl-substituted ketones: Harnessing inductive effects in wacker-type oxidations of internal alkenes

We present a practical trifluoromethyl-directed Wacker-type oxidation of internal alkenes that enables rapid access to β-trifluoromethyl-substituted ketones. Allylic trifluoromethyl-substituted alkenes bearing a wide range of functional groups can be oxidized in high yield and regioselectivity. The distance dependence of the regioselectivity was established by systematic variation of the number of methylene units between the double bond and the trifluoromethyl group. The regioselectivity enforced by traditional directing groups could even be reversed by introduction of a competing trifluoromethyl group. Besides being a new powerful synthetic method to prepare fluorinated molecules, this work directly probes the role of inductive effects on nucleopalladation events.

A METHOD FOR PRODUCING 4,4,4-TRIFLUOROBUTANE-2-ONE

The present invention provides a novel method for preparing 4,4,4-trifluorobutane-2-one by providing a fluorobutene selected from the group consisting of 2,4,4,4-tetrafluoro-1-butene, (E)- 1,1,1,3-tetrafluoro-2-butene, (Z)-1,1,1,3-tetrafluoro-2-butene, and mixture thereof; and reacting the fluorobutene(s) with a proton acid and water.