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Ethyl2-fluoropropionate

Ethyl2-fluoropropionate structure

Ethyl2-fluoropropionate 

structure
  • CAS No:

    349-43-9

  • Formula:

    C5H9FO2

  • Chemical Name:

    Ethyl2-fluoropropionate

  • Synonyms:

    Ethyl2-fluoropropionate;ethyl2-fluoropropanoate;2-fluoro-ethylpropionate;2-FLUOROPROPIONICACIDETHYLESTER;2-fluoropropanoicacidethylester

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

Description

Clear colorless to light yellow liquid

Ethyl2-fluoropropionate Basic Attributes

120.12

120.058655

102760

2915900090

Characteristics

26.3

0.8

Light-yellowish liquid

1.0±0.1 g/cm3

-29ºC(lit.)

125°C

29°C

1.368

12.4mmHg at 25°C

Safety Information

FLAMMABLE

3272

10-36/38

16-36/37/39-3/9/49-26

F

Flammable

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501

H226

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl2-fluoropropionate Use and Manufacturing

In a 2 L four-necked flask equipped with a condenser, DMF 1100 g, 273 g (2.0 mol) of ethyl 2-chloropropionate, Tetrabutylammonium bromide 54g, Triethyl orthoformate 5.5g, 255.2 g of potassium fluoride, Stirring, Warmed to 100 ° C, Reaction 12h.After the reaction, distillation, 176.3 g of ethyl 2-fluoropropionate was obtained, Purity 99.5percent; Yield 66.5percent.(1) Placed tetrafluoroethyl dimethylamine (TFEDMA)500ml PTFE-lined reactor with condensing tube, Slowly drip ethyl lactate at 0 ° C, The molar ratio of tetrafluoroethyldimethylamine to ethyl lactate is 1.2:1, The temperature of the control system is below 10 °C.After the addition, it will rise to 50 °C.Stir for 4h, The reaction is over, Cool down to 0 ° C, Join slowly4-N, N-dimethylpyridine (C7H10N2), The molar ratio of 4-N, N-lutidine to tetrafluoroethyldimethylamine is 0.3:1, Reduced distillationChlorosulfonic acid (660 mL, 10 mol, 20 eq) was added to a solution ofphthaloyldichloride (1.4 L, 10 mol, 20 eq) and ethyl-2-fluoropropanoate (600 g, 5 mol) at room temperature.The solution was heated at 120 'C for 4 hs. 2-(R)-fluoropropanoyl chloride was distilled from thereaction mixture under reduced pressure and recovered as a colourless oil (320 g, 58.2percent). 1HNMR(CDCl3, 400 MHz): 8 5.08 (dq, J = 48.8, 6.8 Hz, 1 H), 1.63 (dd, J =22.8, 6.8 Hz, 3 H).In a 2 L four-necked flask equipped with a condenser, DMF 1100 g, 273 g (2.0 mol) of ethyl 2-chloropropionate, Tetrabutylammonium bromide 54g, Triethyl orthoformate 5.5g, 255.2 g of potassium fluoride, Stirring, Warmed to 100 ° C, Reaction 12h.After the reaction, distillation, 176.3 g of

Computed Properties

Molecular Weight:120.12
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:120.05865769
Monoisotopic Mass:120.05865769
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:82.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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