| Identification | Back Directory | [Name]
Ethyl 4-bromoacetoacetate | [CAS]
13176-46-0 | [Synonyms]
Ethyl 4-bromoacetoacetate
4-broMo ethyl acetoacetate
Ethyl 4-bromo-3-oxobutanoate
4-Bromo-3-oxobutanoic acid Et ester
4-BroMoacetoacetic acid ethyl ester
4-Bromo-3-oxo-butyric acid ethyl ester
4-BroMo-3-oxo-butyric acid Methyl ester | [EINECS(EC#)]
1312995-182-4 | [Molecular Formula]
C6H9BrO3 | [MDL Number]
MFCD07783015 | [MOL File]
13176-46-0.mol | [Molecular Weight]
209.04 |
| Chemical Properties | Back Directory | [Boiling point ]
231.6 °C | [density ]
1.511 | [refractive index ]
1.5281 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
liquid | [pka]
9.56±0.46(Predicted) | [color ]
Colourless | [InChI]
InChI=1S/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3 | [InChIKey]
MGDWUTQKXCZNAJ-UHFFFAOYSA-N | [SMILES]
C(OCC)(=O)CC(=O)CBr |
| Hazard Information | Back Directory | [Chemical Properties]
Density 1.511 (28℃) 1.528 (18℃), boiling point 115-116℃/15mmHg. | [Synthesis]
To a solution of Ethyl acetoacetate (10.0 g, 76.9 mmol, 1 .0 eq) in acetic acid (30 mL) was added bromine (12.3 g, 76.9 mmol, 1 .0 eq) at 0 °C over 10 min. The mixture was stirred at 0 °C for 1 h, the solvent was removed under reduced pressure, and the residue was diluted with water (50 mL). The aqueous mixture was extracted with CH2CI2 (50 mL x 3). The combined organic layers were washed with brine (60 mL x 2), dried over MgS04 and concentrated under reduced pressure to give ethyl 4-bromo-3-oxobutanoate (14.3 g, 85 per cent) as a yellow oil. | [References]
[1] Patent: CN105820102, 2016, A. Location in patent: Paragraph 0029-0031
[2] Patent: WO2012/63085, 2012, A2. Location in patent: Page/Page column 81
[3] Patent: US2013/225594, 2013, A1. Location in patent: Paragraph 0252; 0253
[4] Canadian Journal of Chemistry, 2001, vol. 79, # 8, p. 1259 - 1271
[5] Patent: TW2016/5831, 2016, A. Location in patent: Paragraph 0211 |
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