Ethyl2-fluoropropionate
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Ethyl2-fluoropropionate
structure -
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CAS No:
349-43-9
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Formula:
C5H9FO2
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Chemical Name:
Ethyl2-fluoropropionate
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Synonyms:
Ethyl2-fluoropropionate;ethyl2-fluoropropanoate;2-fluoro-ethylpropionate;2-FLUOROPROPIONICACIDETHYLESTER;2-fluoropropanoicacidethylester
- Categories:
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CAS No:
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
Ⅲ
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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