3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Chemical Properties

Boiling point:

124-125℃ (1.5 Torr)

Density 

1.164 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.516(lit.)

Flash point:

>230 °F

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

form 

Liquid

pka

10.03±0.46(Predicted)

color 

Colorless to Light orange to Yellow

Safety Information

WGK Germany 

3

HS Code 

2918.30.9000

MSDS

• Language:English Provider:SigmaAldrich

3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Usage And Synthesis

Uses

Ethyl (2-fluorobenzoyl)acetate may be used in chemical synthesis.

Synthesis

GENERAL METHOD: An appropriate amount of diketone (9a or 9b) (0.3 mol) was mixed with ethanol (500 mL), heated to 80 °C and refluxed for 5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by distillation under reduced pressure to give the target product ester (10a or 10b) in the form of a red oil. 7.10.1 Preparation of ethyl 3-(2-fluorophenyl)-3-oxopropanoate (10a): the product obtained was a red oily material in 85% yield; mass spectrum (ESI) m/z: 233.1 [M + Na]? , 443.1 [2M + Na]?

References

[1] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 11, p. 2843 - 2855
[2] Archiv der Pharmazie, 2013, vol. 346, # 7, p. 521 - 533
[3] Patent: EP2799437, 2014, A1. Location in patent: Paragraph 0057
[4] Patent: US2014/364431, 2014, A1. Location in patent: Paragraph 0188
[5] Patent: WO2017/37672, 2017, A1. Location in patent: Page/Page column 48

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