| Identification | Back Directory | [Name]
2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one | [CAS]
20348-21-4 | [Synonyms]
Einecs 243-753-2
2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
2,2-dimethyl-4H-pyrido[2,3-e][1,4]oxazin-3-one
2,2-Dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)
2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
2,2-DIMETHYL-2H-PYRIDO(3,2-B)(1,4)OXAZINE-3(4H)-ONE
2,2-diMethyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2,2-diMethyl- | [EINECS(EC#)]
243-753-2 | [Molecular Formula]
C9H10N2O2 | [MDL Number]
MFCD10000810 | [MOL File]
20348-21-4.mol | [Molecular Weight]
178.188 |
| Chemical Properties | Back Directory | [Boiling point ]
352.5±37.0 °C(Predicted) | [density ]
1.176±0.06 g/cm3 (20 ºC 760 Torr) | [storage temp. ]
Store at room temperature | [form ]
solid | [pka]
11.13±0.40(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12) | [InChIKey]
DMLNXUUGRSBBBR-UHFFFAOYSA-N | [SMILES]
O1C(C)(C)C(=O)NC2=NC=CC=C12 |
| Hazard Information | Back Directory | [Synthesis]
Step - (i): Synthesis of 2,2-dimethyl-2H-pyrido[3,2-B][1,4]oxazin-3(4H)-one (18.1)
2-Amino-3-hydroxypyridine (5 g, 45.45 mmol) was dissolved in acetone (50 mL) at 20-35 °C and stirred to form a solution. Subsequently K2CO3 (25.09g, 181.81mmol) was added followed by dropwise addition of ethyl 2-bromo-2-methylpropionate (13.29g, 68.18mmol). The reaction mixture was stirred at 70 °C for 16 hours. After completion of the reaction, the mixture was cooled to 20-35 °C and diluted with ice water. The resulting solid was collected by filtration and washed with water to afford the target compound as a white solid (5g, 97% yield).
1H NMR (400MHz, DMSO-d6): [specific NMR data should be added here]. | [References]
[1] Patent: WO2015/71780, 2015, A1. Location in patent: Page/Page column 22
[2] Tetrahedron Letters, 2010, vol. 51, # 14, p. 1852 - 1855
[3] Acta Chemica Scandinavica (1947-1973), 1969, vol. 23, p. 2322 - 2324 |
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