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Cas Database |
| Name |
Ethyl 2-fluoroacetoacetate |
EINECS | N/A |
| CAS No. | 1522-41-4 | Density | 1.105 g/cm3 |
| PSA | 43.37000 | LogP | 0.47660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H9FO3 | Boiling Point | 170.1 °C at 760 mmHg |
| Molecular Weight | 148.134 | Flash Point | 55.6 °C |
| Transport Information | N/A | Appearance | Clear colorless liquid |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Acetoaceticacid, 2-fluoro-, ethyl ester (7CI,8CI);Acetoacetic acid, fluoro-, ethyl ester(6CI);2-Fluoro-3-oxobutanoic acid ethyl ester;Ethyl 2-fluoro-3-oxobutanoate;Ethyl 2-fluoro-3-oxobutyrate;NSC 24563; |
Article Data | 38 |
Ethyl 2-fluoroacetoacetate Synthetic route
| Conditions | Yield |
|---|---|
| With N-fluorobis<(trifluoromethyl)sulfonyl>imide In dichloromethane; water at 22℃; for 8h; | 86% |
| With N-fluorobis<(trifluoromethyl)sulfonyl>imide In dichloromethane; water at 22℃; for 8h; | 86% |
| With trifluoroamine oxide; tetra(n-butyl)ammonium hydroxide In acetonitrile at 20℃; for 12h; | 85% |
- 78948-09-1
acetyl hypofluorite
- 1007476-32-5
sodium ethyl acetylacetate enolate
- 1522-41-4
ethyl-2-fluoroacetoacetate
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; trichlorofluoromethane at -75℃; for 0.0166667h; | 81% |
- 141-97-9
ethyl acetoacetate
A
- 1522-41-4
ethyl-2-fluoroacetoacetate
B
- 2266-48-0
2,2-difluoro-3-oxobutyric acid ethyl ester
C
- 363-77-9
ethyl 2,4-difluoro-3-oxobutanoate
| Conditions | Yield |
|---|---|
| With fluorine In formic acid at 10 - 15℃; | A 80% B 1% C 10% |
| With fluorine In formic acid at 10 - 15℃; for 2h; Yield given. Yields of byproduct given; |
- 375-73-5
perfluorobutanesulfonic acid
- 609-15-4
ethyl 2-chloro-3-oxo-butyrate
- 1522-41-4
ethyl-2-fluoroacetoacetate
| Conditions | Yield |
|---|---|
| With hydrogen fluoride at -10 - 20℃; Temperature; Inert atmosphere; | 68.51% |
- 13257-83-5
ethyl 3-trimethylsiloxy-2-butenoate
- 1522-41-4
ethyl-2-fluoroacetoacetate
| Conditions | Yield |
|---|---|
| With fluorine In trichlorofluoromethane at -78℃; | 48% |
| Conditions | Yield |
|---|---|
| With diethyl ether; sodium hydride |
- 459-72-3
ethyl 2-fluoroacetate
- 75-36-5
acetyl chloride
- 109-94-4
formic acid ethyl ester
- 1522-41-4
ethyl-2-fluoroacetoacetate
| Conditions | Yield |
|---|---|
| (i) NaOEt, (ii) /BRN= 605303/; Multistep reaction; |
- 684-05-9
2-chloro-1,2,2-trifluoroethyl methyl ketone
- 64-17-5
ethanol
- 1522-41-4
ethyl-2-fluoroacetoacetate
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium 1.) 2 h, r.t.; 2.) 15 h, r.t.; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction; |
- 141-97-9
ethyl acetoacetate
A
- 1522-41-4
ethyl-2-fluoroacetoacetate
B
- 2266-48-0
2,2-difluoro-3-oxobutyric acid ethyl ester
| Conditions | Yield |
|---|---|
| With 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate; zinc(II) chloride In 1,2-dichloro-ethane at 60℃; for 24h; | A 69 % Spectr. B 12 % Spectr. |
| With 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate; zinc(II) chloride In 1,2-dichloro-ethane at 60℃; for 12h; | A 32 % Spectr. B 64 % Spectr. |
| With 1-(chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate; cyclopentadienyl titanium(IV) trichloride In acetonitrile at 20℃; |
Ethyl 2-fluoroacetoacetate Chemical Properties
Molecular Formula: C6H9FO3
Molar mass: 148.1323 g/mol
Density: 1.105 g/cm3
Flash Point: 55.6 °C
Index of Refraction: 1.39
Boiling Point: 170.1 °C at 760 mmHg
Vapour Pressure: 1.5 mmHg at 25°C
Appearance: Clear colorless liquid
Product categories of Ethyl 2-fluoroacetoacetate (1522-41-4): Carbonyl Compounds;Esters
Structure of Ethyl 2-fluoroacetoacetate (1522-41-4):
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 4
Systematic Name: Ethyl 2-fluoro-3-oxo-butanoate
SMILES: O=C(C(F)C(=O)OCC)C
InChI: InChI=1/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
InChIKey: SHTFQLHOTAJQRJ-UHFFFAOYAK
Std. InChI: InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
Std. InChIKey: SHTFQLHOTAJQRJ-UHFFFAOYSA-N
Ethyl 2-fluoroacetoacetate Safety Profile
Hazard Codes: Xi.gif){kind=small}
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Ethyl 2-fluoroacetoacetate Specification
Ethyl 2-fluoroacetoacetate (1522-41-4) also can be called Butanoic acid, 2-fluoro-3-oxo-, ethyl ester and 3-Fluoropyridine-2-carboxylic acid .
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