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| | Ethyl 4-bromoacetoacetate Basic information |
| Product Name: | Ethyl 4-bromoacetoacetate | | Synonyms: | 4-BroMo-3-oxo-butyric acid Methyl ester;4-Bromo-3-oxo-butyric acid ethyl ester;Ethyl 4-Vromoacetoacetate;Ethyl 4-bromoacetoacetate;Ethyl 4-bromo-3-oxobutanoate;4-Bromo-3-oxobutanoic acid Et ester;4-broMo ethyl acetoacetate;4-BroMoacetoacetic acid ethyl ester | | CAS: | 13176-46-0 | | MF: | C6H9BrO3 | | MW: | 209.04 | | EINECS: | 806-757-0 | | Product Categories: | Small molecule | | Mol File: | 13176-46-0.mol |  |
| | Ethyl 4-bromoacetoacetate Chemical Properties |
| Boiling point | 231.6 °C | | density | 1.511 | | refractive index | 1.5281 (estimate) | | storage temp. | 2-8°C(protect from light) | | pka | 9.56±0.46(Predicted) | | form | liquid | | 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 Codes | F | | HS Code | 2918300090 |
| | Ethyl 4-bromoacetoacetate Usage And Synthesis |
| 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 |
| | Ethyl 4-bromoacetoacetate Preparation Products And Raw materials |
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