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| | 1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one Basic information |
| Product Name: | 1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one | | Synonyms: | 1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one;2-Bromo-3',4'-(methylenedioxy)propiophenone;1-(1,3-Benzodioxol-5-yl)-2-broMo-1-propanone;3',4'-Methylenedioxy-α-broMopropiophenone;1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-one;1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-bromo-;3',4'-Methylenedioxy-α-broMopropiophenone;Bromo-3′ , 4′ - (methylenedioxy) | | CAS: | 52190-28-0 | | MF: | C10H9BrO3 | | MW: | 257.08 | | EINECS: | 207-791-3 | | Product Categories: | Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals | | Mol File: | 52190-28-0.mol | ![1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one Structure](CAS/GIF/52190-28-0.gif) |
| | 1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one Chemical Properties |
| Boiling point | 345.7±42.0 °C(Predicted) | | density | 1.584±0.06 g/cm3(Predicted) | | solubility | Chloroform: Soluble; DMSO: 1 mg/mL*; Ethanol: 1 mg/mL | | form | A crystalline solid | | InChI | InChI=1S/C10H9BrO3/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5H2,1H3 | | InChIKey | NTPQGLLTGPTOAA-UHFFFAOYSA-N | | SMILES | C(C1=CC=C2OCOC2=C1)(=O)C(Br)C |
| | 1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one Usage And Synthesis |
| Chemical Properties | Pale Yellow Solid | | Uses | 1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one can be used in the preparation of antifungal agents and MDMA analogs.
| | Synthesis | Bromine (10.0 mmol) was added to a solution of the ketone (10.0 mmol) in Et2O (25 mL). The solution was stirred for 30 min (until the color of the solution changed from red to light-yellow). Then, the reaction was quenched with water (10 mL), and the mixture was diluted with Et2O (25 mL). The organic layer was washed with a saturated solution of aqueous NaHCO3 (30 mL), a saturated solution of aqueous Na2S2O3 (30 mL), and brine (30 mL), and then it was dried over MgSO4, filtered, and concentrated. The α-bromoketone was purified by flash chromatography on silica gel. 1-(Benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one [52190-28-0]. This compound was prepared according to the General Procedure from 3,4-methylenedioxypropiophenone (1.78 g, 10.0 mmol). The product was obtained as a white solid (eluted with 50% CH2Cl2 in hexanes; 2.13 g, 82% yield). 1H NMR (CDCl3, 500 MHz) δ 7.64 (d, J= 8.0 Hz, 1H), 7.49 (s, 1H), 6.87 (d, J= 8.0 Hz, 1H), 6.07 (s, 2H), 5.21 (q, J= 7.0 Hz, 1H), 1.88 (d, J= 7.0 Hz, 3H).
![1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one synthesis](/NewsImg/2023-05-08/6381915544832604198489645.png "1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one synthesis") |
| | 1-(benzo[d][1,3]dioxol-5-yl)-2-bromopropan-1-one Preparation Products And Raw materials |
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