| Identification | Back Directory | [Name]
3-DroMo-9,9'-spirobifluorene | [CAS]
1361227-58-8 | [Synonyms]
3-BSF 3-bromo-SBF 3-DroMo-9,9'-spirobifluorene 3-bromo-9,9'-spirobi[fluorene] 3-Bromo-9,9'-Spiro[9H-Fluorene] 3-bromo-9,9'-spirobi(9h-fluorene) 9,9'-Spirobi[9H-fluorene], 3-bromo- | [Molecular Formula]
C25H15Br | [MDL Number]
MFCD28137969 | [MOL File]
1361227-58-8.mol | [Molecular Weight]
395.29 |
| Chemical Properties | Back Directory | [Boiling point ]
508.6±29.0 °C(Predicted) | [density ]
1.52±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C25H15Br/c26-16-13-14-24-20(15-16)19-9-3-6-12-23(19)25(24)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H | [InChIKey]
UIUSRIQSFHZPSQ-UHFFFAOYSA-N | [SMILES]
C12(C3=C(C=CC=C3)C3=C1C=CC=C3)C1=C(C=CC=C1)C1=C2C=CC(Br)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Synthesis]
The synthesis of the compound was carried out in two steps. Step 1: 2-Bromobiphenyl (1.05 eq., 4.0 g, 16.5 mmol) was dissolved in anhydrous ether (102 mL), and after the solution was cooled to -60 °C, n-butyllithium (n-BuLi, 1.16 eq.) was added slowly and dropwise. After maintaining this temperature for 10 minutes, a white precipitate was observed to be generated and the reaction mixture was subsequently warmed to room temperature to dissolve the precipitate. Next, 3-bromo-9H-fluoren-9-one was added and the reaction mixture was stirred at 45 °C overnight. After completion of the reaction, the reaction was quenched by adding 5% aqueous ammonium chloride solution (260 mL) and the organic phase was extracted with ether to give the alcohol intermediate (7.0 g). Step 2: The above alcohol intermediate was dissolved in acetic acid (141 mL) and hydrolyzed by adding 10% HCl/dioxane solution (78 mL, 10 mol%, 20 eq.). After evaporation to remove the solvent, the residual solid was purified by normal-phase fast chromatography to finally obtain 3-bromo-9,9'-spirobifluorene (5.86 g, 94% yield). | [References]
[1] Patent: EP2574608, 2013, A1. Location in patent: Paragraph 0088; 0089; 0090; 0091 [2] Patent: US9076971, 2015, B2. Location in patent: Page/Page column 9-10 |
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