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| CAS No.: | 13176-46-0 |
|---|---|
| Name: | Ethyl 4-bromoacetoacetate |
| Article Data: | 69 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H9BrO3 |
| Molecular Weight: | 209.04 |
| Synonyms: | Acetoaceticacid, 4-bromo-, ethyl ester (6CI,7CI,8CI);4-Bromo-3-oxobutanoic acid ethylester;Ethyl (bromoacetyl)acetate;Ethyl 4-bromo-3-oxobutanoate;Ethyl4-bromo-3-oxobutyrate; |
| EINECS: | 806-757-0 |
| Density: | 1.478 g/cm3 |
| Boiling Point: | 231.6 °C at 760 mmHg |
| Flash Point: | 93.9 °C |
| Appearance: | white crystalline power |
| Hazard Symbols: |
 F
|
| PSA: | 43.37000 |
| LogP: | 0.90360 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 141-97-9
ethyl acetoacetate
- 13176-46-0
4-bromoethyl acetoacetate
| Conditions | Yield |
|---|---|
| With bromine In dichloromethane at -5 - 5℃; for 2h; | 92.54% |
| With bromine; acetic acid at 0℃; for 1.16667h; | 85% |
| With bromine; acetic acid at 0℃; for 1.16667h; | 85% |
| Conditions | Yield |
|---|---|
| Stage #1: ethyl acetoacetate With bromine In acetic acid at 20℃; for 0.5h; Stage #2: With hydroquinone In acetic acid at 20℃; for 1h; Further stages.; | A 90% B 3% |
| With bromine In acetic acid at 20℃; for 3h; |
| Conditions | Yield |
|---|---|
| Stage #1: 4-methyleneoxetan-2-one With bromine In dichloromethane at -20 - -10℃; Inert atmosphere; Stage #2: ethanol With pyridine In dichloromethane at -10 - 20℃; for 1h; Inert atmosphere; | 84% |
| With bromine 1.) CCl4; Multistep reaction; | |
| With bromine at -30 - 5℃; for 1h; |
- 105-36-2
ethyl bromoacetate
- 13176-46-0
4-bromoethyl acetoacetate
| Conditions | Yield |
|---|---|
| With isopropylmagnesium bromide In diethyl ether | 77% |
| With samarium diiodide In tetrahydrofuran at -78℃; | 45% |
- 84911-18-2, 609-13-2
ethyl 2-bromoacetoacetate
- 13176-46-0
4-bromoethyl acetoacetate
| Conditions | Yield |
|---|---|
| zur Umlagerung ist ausser der Anwesenheit von HBr auch Belichtung oder Gegenwart von Luftsauerstoff oder Peroxyd erforderlich; | |
| Bildung durch Umlagerung; | |
| With hydrogen bromide; acetic acid at 100℃; |
| Conditions | Yield |
|---|---|
| With diethyl ether; iodine; magnesium Zersetzung des Reaktionsprodukts mit Schwefelsaeure; |
- 109-72-8, 29786-93-4
n-butyllithium
- 105-36-2
ethyl bromoacetate
A
- 26818-07-5
1-bromo-2-hexanone
B
- 13176-46-0
4-bromoethyl acetoacetate
C
- 141-97-9
ethyl acetoacetate
D
- 123-25-1
succinic acid diethyl ester
| Conditions | Yield |
|---|---|
| With methanol In hexane at -60 - -50℃; for 1h; Product distribution; other temp.: -78 deg C; |
- 7732-18-5
water
- 7726-95-6
bromine
- 141-97-9
ethyl acetoacetate
A
- 84911-18-2, 609-13-2
ethyl 2-bromoacetoacetate
B
- 13176-46-0
4-bromoethyl acetoacetate
| Conditions | Yield |
|---|---|
| With diethyl ether |
- 105-36-2
ethyl bromoacetate
A
- 13176-46-0
4-bromoethyl acetoacetate
| Conditions | Yield |
|---|---|
| With aluminium; xylene |
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Chemistry
Systematic Name: Ethyl 4-bromo-3-oxobutanoate
Synonyms of Ethyl 4-bromoacetoacetate (CAS NO.13176-46-0): 4-Bromo-3-oxo-butyric acid ethyl ester ; Ethyl 4-bromoacetoacetate ; 4-Bromo-3-oxobutanoic acid Et ester
CAS NO: 13176-46-0
Molecular Formula: C6H9BrO3
Molecular Weight: 209.04
Molecular Structure: 
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.469
Molar Refractivity: 39.38 cm3
Molar Volume: 141.3 cm3
Surface Tension: 38.7 dyne/cm
Density: 1.478 g/cm3
Flash Point: 93.9 °C
Enthalpy of Vaporization: 46.83 kJ/mol
Boiling Point: 231.6 °C at 760 mmHg
Vapour Pressure: 0.0616 mmHg at 25°C
SMILES: O=C(CBr)CC(=O)OCC
InChI: InChI=1/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
InChIKey: MGDWUTQKXCZNAJ-UHFFFAOYAB
Std. InChI: InChI=1S/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
Std. InChIKey: MGDWUTQKXCZNAJ-UHFFFAOYSA-N
Product Categories of Ethyl 4-bromoacetoacetate (CAS NO.13176-46-0): Small molecule
Safety Profile
Hazard Codes: 
F