685-84-7

Basic information

• Product Name: Butanoic acid, 4-fluoro-2-methyl-3-oxo-, ethyl ester
• Synonyms: Butanoic acid, 4-fluoro-2-methyl-3-oxo-, ethyl ester
• CAS NO: 685-84-7
• Molecular Formula: C7H11FO3
• Molecular Weight: 162.16
• Mol File: 685-84-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 192.5°C at 760 mmHg
• Flash Point: 68.6°C
• Appearance: /
• Density: 1.077g/cm³
• Vapor Pressure: 0.488mmHg at 25°C
• Refractive Index: 1.398
• CAS DataBase Reference: Butanoic acid, 4-fluoro-2-methyl-3-oxo-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, 4-fluoro-2-methyl-3-oxo-, ethyl ester(685-84-7)
• EPA Substance Registry System: Butanoic acid, 4-fluoro-2-methyl-3-oxo-, ethyl ester(685-84-7)

Safety Data

• Hazardous Substances Data: 685-84-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H11FO3/c1-3-11-7(10)5(2)6(9)4-8/h5H,3-4H2,1-2H3

Upstream product

• 459-72-3 ethyl 2-fluoroacetate 
• 105-37-3 Ethyl propionate 
• 535-11-5 Ethyl 2-bromopropionate 

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.