ChemicalBook--->CAS DataBase List--->122450-96-8

122450-96-8

122450-96-8 Structure

122450-96-8 Structure
IdentificationBack Directory
[Name]

7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
[CAS]

122450-96-8
[Synonyms]

7-Bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
7-BROMO-2H,4H-PYRIDO[3,2-B][1,4]OXAZIN-3-ONE
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 7-bromo-
3-Oxo-3,4-dihydro-2H-1-oxa-4,5-diaza-7-broMo-naphthalene
[Molecular Formula]

C7H5BrN2O2
[MDL Number]

MFCD09834134
[MOL File]

122450-96-8.mol
[Molecular Weight]

229.03
Chemical PropertiesBack Directory
[Boiling point ]

403.9±45.0 °C(Predicted)
[density ]

1.772
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

9.98±0.20(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Spectrum DetailBack Directory
[Spectrum Detail]

7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one(122450-96-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

2H-Pyrido[3,2-b][1,4]oxazin-3(4H)-one

20348-09-8

7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

122450-96-8

General procedure for the synthesis of 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones from 2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones: to 2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones (1 g, 6.66 mmol) of N,N-dimethylformamide (DMF. 30 mL) solution was slowly added bromine (0.480 mL, 9.32 mmol) dropwise. The reaction mixture was stirred at room temperature for 12 hours. Upon completion of the reaction, deionized water was added to induce precipitate formation and the precipitate was collected by filtration. The resulting solid was dried overnight in a freeze dryer to afford 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one (1.16 g, 76% yield). The product was characterized by 1H NMR (DMSO-d6): δ 11.43 (s, 1H), 8.04 (d, J = 2.0 Hz, 1H), 7.65 (d, J = 2.0 Hz, 1H), 4.67 (s, 2H).

[References]

[1] Bioorganic and Medicinal Chemistry, 1998, vol. 6, # 2, p. 133 - 142
[2] Patent: WO2009/100536, 2009, A1. Location in patent: Page/Page column 93-94
[3] Patent: WO2006/113432, 2006, A2. Location in patent: Page/Page column 56-57
[4] Patent: US4906629, 1990, A
[5] Patent: US4822794, 1989, A
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