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[ CAS No. 1029421-36-0 ] {[proInfo.proName]}

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Chemical Structure| 1029421-36-0
Chemical Structure| 1029421-36-0
Structure of 1029421-36-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1029421-36-0 ]

CAS No. :1029421-36-0 MDL No. :MFCD28405312
Formula : C8H5BrFNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :JIHABKIDCVPCNQ-UHFFFAOYSA-N
M.W : 246.03 Pubchem ID :59298370
Synonyms :

Safety of [ 1029421-36-0 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1029421-36-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1029421-36-0 ]

[ 1029421-36-0 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 1029421-36-0 ]
  • [ 1446001-98-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: copper(l) iodide / methanol / 20 h / 80 °C 2: boron tribromide / dichloromethane / 17 h / 0 - 20 °C
  • 2
  • [ 1029421-36-0 ]
  • [ 1446001-99-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: copper(l) iodide / methanol / 20 h / 80 °C 2: boron tribromide / dichloromethane / 17 h / 0 - 20 °C 3: borane-THF / tetrahydrofuran / 17 h / 20 °C
  • 3
  • [ 1029421-36-0 ]
  • [ 1446002-00-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: copper(l) iodide / methanol / 20 h / 80 °C 2: boron tribromide / dichloromethane / 17 h / 0 - 20 °C 3: borane-THF / tetrahydrofuran / 17 h / 20 °C 4: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 19 h / 60 °C
  • 4
  • [ 1029421-36-0 ]
  • [ 1446002-01-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: copper(l) iodide / methanol / 20 h / 80 °C 2: boron tribromide / dichloromethane / 17 h / 0 - 20 °C 3: borane-THF / tetrahydrofuran / 17 h / 20 °C 4: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 19 h / 60 °C 5: sodium t-butanolate; ruphos; (2-dicyclohylphosphino-2'6'-diisopropyl-1 1'-biphenyl)(2-(2-aminoethyl)phenyl)palladium(II) / 1,4-dioxane / 23 h / 100 °C / Inert atmosphere; Sealed tube
  • 5
  • [ 1029421-36-0 ]
  • [ 1446002-02-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: copper(l) iodide / methanol / 20 h / 80 °C 2: boron tribromide / dichloromethane / 17 h / 0 - 20 °C 3: borane-THF / tetrahydrofuran / 17 h / 20 °C 4: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 19 h / 60 °C 5: sodium t-butanolate; ruphos; (2-dicyclohylphosphino-2'6'-diisopropyl-1 1'-biphenyl)(2-(2-aminoethyl)phenyl)palladium(II) / 1,4-dioxane / 23 h / 100 °C / Inert atmosphere; Sealed tube 6: hydrogenchloride / dichloromethane; 1,4-dioxane / 72 h / 20 °C
  • 6
  • [ 1029421-36-0 ]
  • [ 1446001-56-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: copper(l) iodide / methanol / 20 h / 80 °C 2.1: boron tribromide / dichloromethane / 17 h / 0 - 20 °C 3.1: borane-THF / tetrahydrofuran / 17 h / 20 °C 4.1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 19 h / 60 °C 5.1: sodium t-butanolate; ruphos; (2-dicyclohylphosphino-2'6'-diisopropyl-1 1'-biphenyl)(2-(2-aminoethyl)phenyl)palladium(II) / 1,4-dioxane / 23 h / 100 °C / Inert atmosphere; Sealed tube 6.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 72 h / 20 °C 7.1: HATU; triethylamine / dichloromethane / 0.33 h / 20 °C 7.2: 1.5 h / 20 °C
  • 7
  • [ 1029421-36-0 ]
  • [ 124-41-4 ]
  • [ 1446001-97-3 ]
YieldReaction ConditionsOperation in experiment
92% With copper(l) iodide In methanol at 80℃; for 20h; I1.a a) 5-Fluoro-6-methoxy-4H-benzo[1,4]oxazin-3-one a) 5-Fluoro-6-methoxy-4H-benzo[1,4]oxazin-3-one A solution of 6-bromo-5-fluoro-4H-benzo[1,4]oxazin-3-one (CAS registry 1029421-36-0) (5.0 g, 20 mmol) in MeOH (10 ml) was treated with sodium methoxide solution (30% in MeOH, 11.3 ml, 61 mmol) and CuI (0.4 g, 2 mmol). After stirring for 20 h at 80° C., the reaction was quenched with sat. aq. NaHCO3 soln and extracted with EtOAc. The organic layer was dried over Na2SO4, filtered and concentrated under reduced pressure to obtain a pale yellow solid. (2.2 g, 92% yield). UPLC RtM1=0.64 min. 1H NMR (400 MHz, DMSO-d6): δ 6.74 (m, 2H), 4.53 (s, 2H), 3.79 (s, 3H).
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