7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
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![7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3146bf5e1123415c89d8406981d70149.png "7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one")
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
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CAS No:
122450-96-8
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Formula:
C7H5BrN2O2
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Chemical Name:
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
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Synonyms:
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one;7-BROMO-4H-PYRIDO[3,2-B][1,4]OXAZIN-3-ONE;2H-PYRIDO[3,2-B]-1,4-OXAZIN-3(4H)-ONE, 7-BROMO-;MFCD09834134;2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,7-bromo-;7-bromo-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one;ACMC-1BZU4;SCHEMBL859012;CHEMBL4516453;CTK4B3116
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CAS No:
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one Basic Attributes
229.033
227.953430
DTXSID80579704
2934999090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one Use and Manufacturing
To a solution of compound 15 (1 g, 6.66 mmol) in DMF (30 mL) was added dropwise bromine (0.480 mL, 9.32 mmol). The reaction mixture was stirred overnight at room temperature. Water was added and a precipitate was formed which was collected by filtration and dried in lyophilizer overnight to afford title compound 16 (1.16 g, 76percent yield). IH NMR a) 7-Bromo-2H-pyrido[3, 2-jb][1 , 4]oxazin-3(4H)-oneA mixture of 2H-pyrido[3, 2-d][1 , 4]oxazin-3(4H)-one (1.30 g, 8.66 mmol) and N-bromosuccinimide (1.70 g, 9.53 mmol) in DMF (30 mL) was stirred for three days at room temperature . Water (10 mL) was added and the suspension was cooled EPO the step A compound (3.24mmol) was dissolved in 14 ml of N, N- dimethylformamide, then slowly added Bromine(3.56 mmol). At room temperature it wasstirred for 2 hours then water (300 ml) wasadded .the resulting precipitate was collected by filtration then it was washed with water and dried to give 260 mg ofthe title compound.
Computed Properties
Molecular Weight:229.03
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:227.95344
Monoisotopic Mass:227.95344
Topological Polar Surface Area:51.2
Heavy Atom Count:12
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
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