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| CAS No.: | 7152-15-0 |
|---|---|
| Name: | Ethyl isobutyrylacetate |
| Article Data: | 52 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H14O3 |
| Molecular Weight: | 158.197 |
| Synonyms: | Valericacid, 4-methyl-3-oxo-, ethyl ester (6CI,8CI);4-Methyl-3-oxo-pentanoic acidethyl ester;4-Methyl-3-oxovaleric acid ethyl ester;Ethyl4-methyl-3-oxopentanoate;Ethyl 4-methyl-3-oxovalerate;Isobutyrylacetic acid ethyl ester;NSC 62029;g,g-Dimethylacetoacetic acid ethyl ester; |
| EINECS: | 230-491-9 |
| Density: | 0.979 g/cm3 |
| Melting Point: | -9 °C(lit.) |
| Boiling Point: | 173 °C at 760 mmHg |
| Flash Point: | 53.3 °C |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3272 3/PG 3 |
| PSA: | 43.37000 |
| LogP: | 1.16470 |
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| Conditions | Yield |
|---|---|
| Stage #1: ethyl potassium malonate With triethylamine; magnesium chloride In ethyl acetate at 0 - 35℃; for 6.5h; Stage #2: isobutyryl chloride In ethyl acetate at 0 - 20℃; for 13h; Time; | 61% |
| With triethylamine; magnesium chloride In acetonitrile |
- 21633-78-3
diethyl isobutyrylmalonate
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In water for 8h; Reflux; | 54% |
| With isobutyric Acid; copper diacetate; magnesium oxide Heating; | |
| With copper diacetate; magnesium oxide; isobutyric Acid at 145℃; for 14h; |
| Conditions | Yield |
|---|---|
| With sodium hydride In toluene; mineral oil Reflux; | 60% |
| With sodium hydride at 60 - 90℃; | |
| With sodium hydride In benzene |
- 563-80-4
3-methyl-butan-2-one
- 680-31-9
N,N,N,N,N,N-hexamethylphosphoric triamide
- 105-58-8
Diethyl carbonate
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
| Conditions | Yield |
|---|---|
| In methanol; paraffin oil; benzene | 81% |
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran | 99% |
| Stage #1: hydrogen ethyl malonate With [2,2]bipyridinyl; n-butyllithium In tetrahydrofuran; hexane at -70 - -10℃; Inert atmosphere; Stage #2: isobutyryl chloride In tetrahydrofuran; hexane at -65℃; for 0.166667h; Inert atmosphere; | 80% |
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
| Conditions | Yield |
|---|---|
| With sodium hydroxide | |
| With diethyl ether; ammonia at 25℃; | |
| With ammonium hydroxide at 40℃; |
- 122622-90-6
Ethyl (+/-)-3-hydroxy-4-methyl-4-pentenoate
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
| Conditions | Yield |
|---|---|
| With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In water; acetone at 60℃; for 16h; chemoselective reaction; | 91% |
- 38491-54-2
ethyl 2-diazo-3-hydroxy-4-methylpentanoate
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride In neat (no solvent) at 20℃; for 9h; | 60% |
- 105-36-2
ethyl bromoacetate
- 109853-52-3
N-(methylpropionyl)oxazolidin-2-one
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
| Conditions | Yield |
|---|---|
| With zinc In tetrahydrofuran 1) 30 deg C, 2 h, 2) reflux, 18 h; | 83% |
- 2033-24-1
cycl-isopropylidene malonate
- 64-17-5
ethanol
- 79-31-2
isobutyric Acid
- 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate
| Conditions | Yield |
|---|---|
| Stage #1: cycl-isopropylidene malonate; isobutyric Acid With dmap In dichloromethane at 20℃; for 0.25h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 20℃; Stage #3: ethanol In toluene for 3h; Reflux; | 48% |
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Chemistry
IUPAC Name: Ethyl 4-methyl-3-oxopentanoate
Empirical Formula: C8H14O3
Molecular Weight: 158.195
Einecs: 230-491-9
Freely Rotating Bonds: 5
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.419
Molar Refractivity: 40.87 cm3
Molar Volume: 161.5 cm3
Polarizability: 16.2 ×10-24 cm3
Surface Tension: 29.8 dyne/cm
Density: 0.979 g/cm3
Flash Point: 53.3 °C
Enthalpy of Vaporization: 40.94 kJ/mol
Boiling Point: 173 °C at 760 mmHg
Vapour Pressure: 1.29 mmHg at 25°C
The Cas Register Number of Pentanoic acid,4-methyl-3-oxo-, ethyl ester is 7152-15-0.The chemical synonyms of Pentanoic acid,4-methyl-3-oxo-, ethyl ester (CAS NO.7152-15-0) are Ethyl isobutyrylacetate .The molecular structure of Pentanoic acid,4-methyl-3-oxo-, ethyl ester (CAS NO.7152-15-0) is
.bmp)
.
Uses
Pentanoic acid,4-methyl-3-oxo-, ethyl ester (CAS NO.7152-15-0) is used in organic synthesis.
Safety Profile
Risk Statements: 10
Safety Statements: 16
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III