7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE
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7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE
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CAS No:
105544-36-3
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Formula:
C7H5BrN2O2
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Chemical Name:
7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE
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Synonyms:
7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE;7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2-ONE;7-broMo-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-2-one;:1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one,7-broMo
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CAS No:
7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE Basic Attributes
229.0308
227.953430
DTXSID10404631
2934999090
Characteristics
51.2
0.8
1.772±0.06 g/cm3(Predicted)
247-251 °C(Solv: ethanol (64-17-5))
398.8±42.0 °C(Predicted)
195.0±27.9 °C
1.608
7-BROMO-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE Use and Manufacturing
Step 2. Iron powder (22.8 g, 408 mmol) was added to a solution of (5-bromo-3-nitro-pyridin-2-yloxy)-acetic acid ethyl ester (2.28 g, 7.47 mmol) in acetic acid (230 mL), and the reaction mixture was heated at 60° C. over 150 min, cooled to room temperature, and filtered. The filtrate was evaporated, taken up in dichloromethane/methanol 1:1 and neutralized with 1 M aq. sodium carbonate solution. The organic layer was washed with water and the aqueous layer re-extracted with dichloromethane. The combined organic layers were washed again with 1 M aq. sodium carbonate solution, dried (Nab)
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-1H-PYRIDO[2,3-B][1,4]OXAZIN-2(3H)-ONE
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