1-bromo-4-phenylbutan-2-one manufacturers
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| | 1-bromo-4-phenylbutan-2-one Basic information |
| Product Name: | 1-bromo-4-phenylbutan-2-one | | Synonyms: | 1-Bromo-4-phenyl-2-Butanone;2-Butanone, 1-bromo-4-phenyl-;5-Piperazinecarboxamide,N,N-dimethyl-;2-Thiopheneaceticacid,10-bromo-α-oxo-,ethylester;1-bromo-4-phenylbutan-2-one | | CAS: | 31984-10-8 | | MF: | C10H11BrO | | MW: | 227.1 | | EINECS: | | | Product Categories: | | | Mol File: | 31984-10-8.mol |  |
| | 1-bromo-4-phenylbutan-2-one Chemical Properties |
| Melting point | 47-49 °C | | Boiling point | 290.1±15.0 °C(Predicted) | | density | 1.371±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | Appearance | White to off-white Solid | | InChI | InChI=1S/C10H11BrO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | | InChIKey | APAZZDBYJISGLX-UHFFFAOYSA-N | | SMILES | C(Br)C(=O)CCC1=CC=CC=C1 |
| | 1-bromo-4-phenylbutan-2-one Usage And Synthesis |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 50, p. 5140, 1985 DOI: 10.1021/jo00225a032 | | Synthesis | General procedure for the synthesis of 1-bromo-4-phenylbutan-2-one from benzylacetone: Bromine (19 mL, 1.1 mmol) was slowly added to a stirred solution of 4-phenylbutan-2-one (50 g, 1 mmol) in methanol (350 mL) at 0 °C. The reaction mixture was stirred continuously at 15°C for 4 hours. Upon completion of the reaction, the reaction mixture was diluted with water (500 mL) and extracted with dichloromethane (2 x 500 mL). The organic layers were combined, washed with brine solution, dried over anhydrous Na2SO4 and concentrated under reduced pressure. The residue was dissolved in petroleum ether and crystallized in a refrigerator for 5 hours. The solid was collected by filtration to afford the target product 1-bromo-4-phenylbutan-2-one (72 g, 93.98%) as a white solid.1H NMR (300 MHz, CDCl3): δ 2.9 (q, 4H), 3.8 (s, 2H), 7.2 (m, 3H), 7.3 (m, 2H).13C NMR (100 MHz, CDCl3): δ 29.87,34.24,41.38,126.34 (2c), 128.28 (2c), 128.57,140.29,201.18. | | References | [1] Journal of Chemical Sciences, 2015, vol. 127, # 11, p. 2023 - 2028
[2] Patent: KR2017/25682, 2017, A. Location in patent: Paragraph 0093; 0094-0097
[3] Patent: US2003/149294, 2003, A1
[4] Bioorganic and Medicinal Chemistry, 2007, vol. 15, # 9, p. 3225 - 3234
[5] Synthetic Communications, 2012, vol. 42, # 9, p. 1288 - 1305 |
| | 1-bromo-4-phenylbutan-2-one Preparation Products And Raw materials |
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