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Cas Database |
| Name |
Ethyl 2-fluoro-3-oxopentanoate |
EINECS | 1592732-453-0 |
| CAS No. | 759-67-1 | Density | 1.077 g/cm3 |
| PSA | 43.37000 | LogP | 0.86670 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H11FO3 | Boiling Point | 191.7 °C at 760 mmHg |
| Molecular Weight | 162.161 | Flash Point | 68.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Valericacid, 2-fluoro-3-oxo-, ethyl ester (6CI,8CI);Ethyl 2-fluoro-3-oxovalerate;Pentanoic acid,2-fluoro-3-oxo-, ethyl ester; |
Article Data | 9 |
Ethyl 2-fluoro-3-oxopentanoate Synthetic route
| Conditions | Yield |
|---|---|
| Reflux; | 94.6% |
| Conditions | Yield |
|---|---|
| With Selectfluor In acetonitrile at 50℃; Inert atmosphere; | 86% |
- 459-72-3
ethyl 2-fluoroacetate
- 79-03-8
propionyl chloride
- 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sodium ethanolate; triethylamine In tetrahydrofuran at 15℃; for 16h; Solvent; Time; Temperature; Reagent/catalyst; | 85% |
| With sodium ethanolate; triethylamine In tetrachloromethane at 5 - 25℃; for 16h; |
- 1522-41-4
ethyl-2-fluoroacetoacetate
- 74-88-4
methyl iodide
- 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| Stage #1: ethyl-2-fluoroacetoacetate With lithium diisopropyl amide In tetrahydrofuran at 0℃; for 1h; Stage #2: methyl iodide In tetrahydrofuran at -78 - 20℃; for 14h; | 59% |
| Conditions | Yield |
|---|---|
| With diethyl ether; sodium hydride Erwaermen des Reaktionsgemisches mit Propionylchlorid; |
- 401-55-8
ethyl bromofluoroacetate
- 79-03-8
propionyl chloride
- 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction; |
- 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In tetrahydrofuran; water for 6h; Ambient temperature; Yield given; |
- 38996-01-9
ethyl 3-hydroxypent-4-enoate
A
- 227184-02-3
ethyl α-fluoropropionylacetate
B
- 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester
C
- 1340481-55-1
C7H10F2O3
D
- 4949-44-4
ethyl propanoylacetate
| Conditions | Yield |
|---|---|
| With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; Selectfluor In tetrahydrofuran; water regiospecific reaction; |
- 1629-58-9
4-penten-3-one
- 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester
- 102283-25-0
2-Fluoro-5-oxo-2-propionyl-heptanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With potassium fluoride In sulfolane for 2h; Ambient temperature; | 92% |
- 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester
- 78-94-4
methyl vinyl ketone
- 102283-24-9
2-Fluoro-5-oxo-2-propionyl-hexanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With potassium fluoride In sulfolane for 2h; Ambient temperature; | 89% |
Ethyl 2-fluoro-3-oxopentanoate Chemical Properties
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Systematic Name: Pentanoic acid, 2-fluoro-3-oxo-, ethyl ester
Molecular Formula: C7H11FO3
Molecular Weight: 162.16 g/mol
Canonical SMILES: CCC(=O)C(C(=O)OCC)F
InChI: InChI=1/C7H11FO3/c1-3-5(9)6(8)7(10)11-4-2/h6H,3-4H2,1-2H3
H bond acceptors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 43.37
Index of Refraction: 1.398
Molar Refractivity: 36.4 cm3
Molar Volume: 150.5 cm3
Polarizability: 14.43×10-24 cm3
Surface Tension: 28.3 dyne/cm
Density: 1.077 g/cm3
Flash Point: 68.2 °C
Enthalpy of Vaporization: 42.79 kJ/mol
Boiling Point: 191.7 °C at 760 mmHg
Vapour Pressure of Ethyl 2-fluoro-3-oxopentanoate (CAS NO.759-67-1): 0.508 mmHg at 25 °C
Ethyl 2-fluoro-3-oxopentanoate Specification
Ethyl 2-fluoro-3-oxopentanoate (CAS NO.759-67-1), its Synonyms are 2-Fluoro-3-oxopentanoic acid ethyl ester ; 2-Fluoro-3-oxo-pentanoic acid ethyl ester .
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