Ethyl 2-fluoro-3-oxopentanoate supplier

Name
Ethyl 2-fluoro-3-oxopentanoate
EINECS 1592732-453-0
CAS No. 759-67-1
Article Data9
CAS DataBase
Density 1.077 g/cm³
Solubility
Melting Point
Formula C₇H₁₁FO₃
Boiling Point 191.7 °C at 760 mmHg
Molecular Weight 162.161
Flash Point 68.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, 2-fluoro-3-oxo-, ethyl ester (6CI,8CI);Ethyl 2-fluoro-3-oxovalerate;Pentanoic acid,2-fluoro-3-oxo-, ethyl ester;
PSA 43.37000
LogP 0.86670

Synthetic route

: 2-fluoro-3-oxopentanoic acid-O3,O4-diacetic acid borate

: 79-03-8
propionyl chloride

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

Conditions

Conditions	Yield
Reflux;	94.6%

: 4949-44-4
ethyl propanoylacetate

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

Conditions

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

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

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%

: 459-72-3
ethyl 2-fluoroacetate

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

Conditions

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

Conditions	Yield
Yield given. Multistep reaction;

: Tributyl-(1-ethoxycarbonyl-1-fluoro-2-oxo-butyl)-phosphonium; chloride

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

Conditions

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

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; Selectfluor In tetrahydrofuran; water regiospecific reaction;

...Expand

: 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

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

Conditions	Yield
With potassium fluoride In sulfolane for 2h; Ambient temperature;	89%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 870-50-8
di-tert-butyl-diazodicarboxylate

: 1179476-79-9
C17H29FN2O7

Conditions

Conditions	Yield
Stage #1: 2-fluoro-3-oxopentanoic acid ethyl ester With C40H48Br2F4N4Ni In toluene at 20℃; for 0.166667h; Stage #2: di-tert-butyl-diazodicarboxylate In toluene at 20℃; for 20h; enantioselective reaction;	85%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 16714-25-3
2-azidobenzaldehyde

: 86540-36-5
ethyl 2-ethyl-4-hydroxyquinoline-3-carboxylate

Conditions

Conditions	Yield
With triethylamine; triphenylphosphine In acetonitrile at 95℃; for 12h; Knoevenagel Condensation;	83%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: (E)-1-([1,1'-biphenyl]-2-yl)but-2-en-1-one

: 2,5-dimethyl-[1,1':2',1''-terphenyl]-3-ol

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 125℃; for 5h;	83%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: tert-butyl 5-methylene-2-oxo-1,3-oxazinane-3-carboxylate

: ethyl 4-({[(tert-butoxy)carbonyl]amino}methyl)-2-fluoro-2-propanoylpent-4-enoate

Conditions

Conditions	Yield
Stage #1: tert-butyl 5-methylene-2-oxo-1,3-oxazinane-3-carboxylate With O,O'-(1,1'-biphenyl-2,2'-diyl)-N,N'-diisopropylphosphoramidite; bis(dibenzylideneacetone)-palladium(0) In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; Sealed tube; Stage #2: 2-fluoro-3-oxopentanoic acid ethyl ester In dichloromethane at 20℃; for 18h; Inert atmosphere; Sealed tube;	83%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 40872-81-9
(E)-1-(2-methoxyphenyl)but-2-en-1-one

: 2'-methoxy-2,5-dimethyl-[1,1'-biphenyl]-3-ol

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 125℃; for 5h;	76%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 6638-05-7
2,6-dimethoxy-4-methylphenol

: ethyl 2-fluoro-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-oxopentanoate

Conditions

Conditions	Yield
With copper diacetate In acetonitrile at 70℃; for 2.5h;	73%

: 128113-46-2
(E)-1-(naphthalen-1-yl)but-2-en-1-one

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 2,5-dimethyl-3-(naphthalen-1-yl)phenol

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 125℃; for 5h;	72%

: 75-77-4
chloro-trimethyl-silane

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 1257084-53-9
C10H19FO3Si

Conditions

Conditions	Yield
With triethylamine In benzene at 20℃; for 48h;	67%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 57-13-6
urea

: C6H7FN2O2

Conditions

Conditions	Yield
Stage #1: urea With sodium methylate In methanol at 20℃; for 0.5h; Stage #2: 2-fluoro-3-oxopentanoic acid ethyl ester In methanol for 2.5h; Reflux;	66.42%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 1313028-19-1
(E)-1-(2-chlorophenyl)but-2-en-1-one

: 2'-chloro-2,5-dimethyl-[1,1'-biphenyl]-3-ol

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 125℃; for 5h;	63%

: (E)-1-(o-tolyl)but-2-en-1-one

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 2,2',5-trimethyl-[1,1'-biphenyl]-3-ol

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 125℃; for 5h;	56%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 1360924-07-7
(E)-1-(2-(trifluoromethyl)phenyl)but-2-en-1-one

: 2,5-dimethyl-2'-(trifluoromethyl)-[1,1'-biphenyl]-3-ol

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 125℃; for 5h;	33%

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 50-01-1
guanidine hydrochloride

: 700-54-9
6-ethyl-2-amino-5-fluoro-3H-pyrimidin-4-one

Conditions

Conditions	Yield
With methanol; sodium methylate

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 3473-63-0
formamidine acetic acid

: 137234-87-8
6-Ethyl-5-fluoropyrimidin-4(3H)-one

Conditions

Conditions	Yield
With methanol; sodium methylate Multistep reaction;

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 137234-74-3
4-chloro-5-fluoro-6-ethylpyrimidine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) MeONa, MeOH 2: POCl3 / Heating View Scheme
Multi-step reaction with 2 steps 1: sodium methylate / methanol / 20 h / 15 °C 2: trichlorophosphate / 3 h / 60 °C View Scheme

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: (2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 1) MeONa, MeOH 2: POCl3 / Heating 3: LDA / tetrahydrofuran 4: H2, AcONa / Pd/C / ethanol / 20 °C View Scheme

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: 137234-62-9
voriconazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 1) MeONa, MeOH 2: POCl3 / Heating 3: LDA / tetrahydrofuran 4: H2, AcONa / Pd/C / ethanol / 20 °C View Scheme

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: (2R,3S/2S,3R)-3-(4-chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1) MeONa, MeOH 2: POCl3 / Heating 3: LDA / tetrahydrofuran View Scheme

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: (2S,3S)-3-(6-Chloro-5-fluoro-pyrimidin-4-yl)-2-(2,4-difluoro-phenyl)-1-[1,2,4]triazol-1-yl-butan-2-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1) MeONa, MeOH 2: POCl3 / Heating 3: LDA / tetrahydrofuran View Scheme

: 759-67-1
2-fluoro-3-oxopentanoic acid ethyl ester

: C7H12FNO2

Conditions

Conditions	Yield
With ammonia In formamide for 1h;

Ethyl 2-fluoro-3-oxopentanoate Chemical Properties

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 .

Product Name

Ethyl 2-fluoro-3-oxopentanoate

Synthetic route

Ethyl 2-fluoro-3-oxopentanoate Chemical Properties

Ethyl 2-fluoro-3-oxopentanoate Specification

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