| Identification | Back Directory | [Name]
7-Bromobenzo[b]furan | [CAS]
133720-60-2 | [Synonyms]
7-BROMOBENZOFURAN
7-Bromo-1-benzofuran
Benzofuran, 7-bromo-
7-Bromobenzo[b]furan
7-Bromobenzo[b]furan,97% | [Molecular Formula]
C8H5BrO | [MDL Number]
MFCD09056756 | [MOL File]
133720-60-2.mol | [Molecular Weight]
197.04 |
| Chemical Properties | Back Directory | [Boiling point ]
233.8±13.0 °C(Predicted) | [density ]
1.608±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerated. | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Oil | [color ]
Colourless to Light Yellow | [InChI]
InChI=1S/C8H5BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H | [InChIKey]
GPZPQJITKRSVQJ-UHFFFAOYSA-N | [SMILES]
O1C2=C(Br)C=CC=C2C=C1 |
| Hazard Information | Back Directory | [Synthesis]
1-Bromo-2-(2,2-diethoxyethoxy)benzene (0102-3) (3.33 g, 11.56 mmol, 1.0 eq.) was used as a feedstock and dissolved in dichloroethane (DCE) (60 mL). Subsequently, polyphosphoric acid (PPA) (11.72 g, 34.68 mmol, 3.0 equiv) was added. The air in the round-bottomed flask was displaced three times by nitrogen, and then the reaction was refluxed for 3 h at 83 °C. After completion of the reaction, dichloromethane (100 mL) was added to the reaction mixture and washed with deionized water (100 mL x 3). The organic phase was dried with anhydrous sodium sulfate and subsequently concentrated. Finally, purification by silica gel column chromatography (eluent: 100% petroleum ether) afforded the light yellow solid product 7-bromobenzofuran (1.336 g, yield: 58%). | [References]
[1] Patent: US6353008, 2002, B1. Location in patent: Page column 38
[2] Patent: CN108658908, 2018, A. Location in patent: Paragraph 0160; 0162
[3] Patent: WO2007/117560, 2007, A2. Location in patent: Page/Page column 140-141
[4] Heterocyclic Communications, 2010, vol. 16, # 4-6, p. 249 - 252
[5] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 7, p. 2007 - 2017 |
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