ChemicalBook--->CAS DataBase List--->1361227-58-8

1361227-58-8

1361227-58-8 Structure

1361227-58-8 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

off-white powder
[Synthesis]

2-Bromobiphenyl

2052-07-5

3-Bromo-9H-fluoren-9-one

2041-19-2

3-DroMo-9,9'-spirobifluorene

1361227-58-8

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
Spectrum DetailBack Directory
[Spectrum Detail]

3-DroMo-9,9'-spirobifluorene(1361227-58-8)1HNMR
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