| Identification | Back Directory | [Name]
6-BROMO-2',3',5',6'-TETRAHYDROSPIRO[INDOLINE-3,4'-PYRAN]-2-ONE | [CAS]
1190861-43-8 | [Synonyms]
6-bromospiro[1H-indole-3,4'-oxane]-2-one
6-Bromospiro[1H-indole-3,4'-oxane]-2-one
6-Bromo-1H-spiro[indole-3,4'-oxane]-2-one
6-BROMO-2',3',5',6'-TETRAHYDROSPIRO[INDOLINE-3,4'-PYRAN]-2-ONE
6-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one
Spiro[3H-indole-3,4'-[4H]pyran]-2(1H)-one, 6-bromo-2',3',5',6'-tetrahydro- | [Molecular Formula]
C12H12BrNO2 | [MDL Number]
MFCD19703313 | [MOL File]
1190861-43-8.mol | [Molecular Weight]
282.13 |
| Chemical Properties | Back Directory | [Boiling point ]
437.1±45.0 °C(Predicted) | [density ]
1.61±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
12.70±0.20(Predicted) | [Appearance]
White to yellow Solid | [InChI]
InChI=1S/C12H12BrNO2/c13-8-1-2-9-10(7-8)14-11(15)12(9)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15) | [InChIKey]
WGDOZEMHDIATQE-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=CC(Br)=C2)C2(CCOCC2)C1=O |
| Hazard Information | Back Directory | [Synthesis]
Tert-butyl 6-bromo-2-oxo-2',3',5',6'-tetrahydrospiro[dihydroindole-3,4'-pyran]-1-carboxylate (4.20 g, 11.0 mmol) was used as a starting material, which was dissolved in 1,4-dioxane (25 mL), and 5 M hydrogen chloride solution was added. The reaction mixture was stirred at room temperature for 5 hours. Upon completion of the reaction, the mixture was concentrated under vacuum to afford 6-bromospiro[1H-indole-3,4'-oxahexan]-2-one (3.20 g, 98% yield), the product was a light pink solid. The product was detected by LRMS at m/z 278/280 (M-1)+. 1H-NMR (DMSO-d6) δ: 1.71 (m, 4H), 3.81 (m, 2H), 4.01 (m, 2H), 6.98 (d, J=1.65 Hz, 1H), 7.14 (dd, J=7.97 Hz, J=1.65 Hz, 1H). 7.47 (d, J=7.97Hz, 1H), 10.55 (s, NH). | [References]
[1] Patent: EP2108641, 2009, A1. Location in patent: Page/Page column 32-33
[2] Patent: EP2113503, 2009, A1. Location in patent: Page/Page column 24 |
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