| Identification | Back Directory | [Name]
7-Bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine | [CAS]
34950-82-8 | [Synonyms]
7-bromo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
7-BROMO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZINE
7-bromo-3,4-dihydro-2H-pyrido[3,2-β][1,4]oxazine
2H-Pyrido[3,2-b]-1,4-oxazine, 7-bromo-3,4-dihydro- | [EINECS(EC#)]
233-305-4 | [Molecular Formula]
C7H7BrN2O | [MDL Number]
MFCD09025906 | [MOL File]
34950-82-8.mol | [Molecular Weight]
215.047 |
| Chemical Properties | Back Directory | [Melting point ]
116 °C | [Boiling point ]
316.8±42.0 °C(Predicted) | [density ]
1.619±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
solid | [pka]
7.32±0.20(Predicted) | [Appearance]
Light yellow to green yellow Solid | [InChI]
1S/C7H7BrN2O/c8-5-3-6-7(10-4-5)9-1-2-11-6/h3-4H,1-2H2,(H,9,10) | [InChIKey]
CYISPVTTZWJFEO-UHFFFAOYSA-N | [SMILES]
Brc1cnc2NCCOc2c1 |
| Hazard Information | Back Directory | [Synthesis]
3,4-Dihydro-2H-pyrido[3,2-b][1,4]oxazine (500 mg, 3.67 mmol) was used as starting material and dissolved in DMF (10 mL). To this solution was added N-bromosuccinimide (NBS, 719 mg, 4.04 mmol) at 0 °C. The reaction mixture was stirred continuously for 2 h at 0 °C. Upon completion of the reaction, the reaction was quenched with saturated aqueous NaHCO3 solution and stirring was continued for 20 min at 0 °C. The resulting precipitate was collected by filtration and the solid product was washed with water and dried under vacuum to afford 7-bromo-3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazine (549 mg, 2.55 mmol, 69.5% yield) as a brown solid. The product was analyzed by mass spectrometry (ESI+) with a measured value of 215.2 (M + H).1H NMR (300 MHz, CDCl3) δ: 3.50-3.58 (2H, m), 4.18-4.26 (2H, m), 4.82 (1H, brs), 7.10 (1H, d, J = 1.9 Hz), 7.72 (1H, d, J = 2.3 Hz). | [References]
[1] Patent: WO2018/30550, 2018, A1. Location in patent: Paragraph 0596
[2] Patent: EP2341052, 2011, A1. Location in patent: Page/Page column 40
[3] Acta Chemica Scandinavica (1947-1973), 1971, vol. 25, p. 3135 - 3143
[4] Patent: KR101576386, 2015, B1. Location in patent: Paragraph 0158-0160 |
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