383-56-2

Basic information

• Product Name: 1,1,1-TRIFLUORO-PENTAN-2-ONE
• Synonyms: 1,1,1-TRIFLUORO-PENTAN-2-ONE;NSC 42734
• CAS NO: 383-56-2
• Molecular Formula: C₅H₇F₃O
• Molecular Weight: 140.1
• Mol File: 383-56-2.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 76.2 °C at 760 mmHg
• Flash Point: 12.5 °C
• Appearance: /
• Density: 1.124 g/cm³
• Vapor Pressure: 102mmHg at 25°C
• Refractive Index: 1.334
• CAS DataBase Reference: 1,1,1-TRIFLUORO-PENTAN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-TRIFLUORO-PENTAN-2-ONE(383-56-2)
• EPA Substance Registry System: 1,1,1-TRIFLUORO-PENTAN-2-ONE(383-56-2)

Safety Data

• Hazardous Substances Data: 383-56-2(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 72, p. 4380, 1950 DOI: 10.1021/ja01166a014

InChI:InChI=1/C5H7F3O/c1-2-3-4(9)5(6,7)8/h2-3H2,1H3

Upstream product

• 431-47-0 trifluoroacetic acid-methyl ester 
• 495-40-9 propiophenone 
• 142-96-1 dibutyl ether 
• 927-77-5 n-propylmagnesium bromide 
• 76-05-1 trifluoroacetic acid 
• 74-85-1 ethene 
• 421-50-1 1,1,1-trifluoro-2-propanone 
• 383-63-1 ethyl trifluoroacetate, 
• 90550-11-1 1,1,1-trifluoro-pent-3-en-2-one 
• 106-94-5 propyl bromide 
• 106-31-0 butanoic acid anhydride 
• 75-63-8 Bromotrifluoromethane 
• 3854-50-0 ethyl 2-(trifluoroacetyl)butanoate 
• 141-75-3 butyryl chloride 

Downstream Products

• 382-94-5 3-bromo-1,1,1-trifluoro-pentan-2-one 
• 326-10-3 benzoic acid-(1-trifluoromethyl-but-1-en-ξ-yl ester) 

Relevant articles and documents

Preparation of fluorine-containing methyl or aryl alkyl ketone method

The invention discloses a method for preparing fluorine-containing methyl or alkylaryl ketones, belonging to an organic synthesis field. The method comprises two steps of: ester condensation: ester condensation reaction of an R1COOR2 compound represented by a formula A with a R2COOR2 compound represented by a formula B, is performed to form an R1COCH(R3)COOR2 intermediate represented by a formula C; and ester interchange: R1COCH(R3)COOR2 represented by the formula C is carried out ester interchange reaction with R2COOH under 100-110 DEG C and with catalysis of dilute H2SO4 or a cationic resin, and then decarboxylating to obtain R1COR2 fluorine-containing methyl or alkylaryl ketones represented by a formula D. The R1 group may be CF3-, CF2-, CF- or Ar-; the R2 group may be CH3-, Et- and n-Pr; and the R3 group may be CH3-, Et- and H-. Ester interchange in the invention avoids formation of HOR2 which has a nearly same boiling point with the compound represented by the formula D and is azeotropic with the compound represented by the formula D, enables the compound represented by the formula D to be purified without series rectification operation, and is suitable for large scale production. Simultaneously, ester interchange in the invention greatly raises cost. An ion exchange resin completes ester interchange in a waterless condition, which avoids a de-watering step, and simplifies technologies.

Study for the determination of the absolute configuration of fluoromethylated secondary alcohols by the modified Mosher method

Application of the modified Mosher method using high-field FT 1H NMR to the 2-methoxy-2-phenyl-2-trifluoromethyl acetic acid (MTPA) derivatives of fluorinated secondary alcohols indicates that this method may be generally used to determine the absolute configurations of these materials.

Process for perfluoroalkylation of acid anhydrides

A process for the preparation of perfluoroalkylated ketones and/or perfluoroalkylated alcohols, comprising the step of contacting a perfluoroalkyl iodide or perfluoroalkyl bromide with an acid anhydride, in the presence of a metal chosen from zinc and cadmium.