ChemicalBook--->CAS DataBase List--->34950-82-8

34950-82-8

34950-82-8 Structure

34950-82-8 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H319-H335-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

7-Bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine(34950-82-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

3,4-Dihydro-2H-pyrido[3,2-b][1,4]oxazine

20348-23-6

7-Bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

34950-82-8

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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