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[ CAS No. 1153279-80-1 ]

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Chemical Structure| 1153279-80-1
Chemical Structure| 1153279-80-1
Structure of 1153279-80-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1153279-80-1 ]

CAS No. :1153279-80-1 MDL No. :MFCD12173024
Formula : C7H3BrFNO4 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :264.01 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1153279-80-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1153279-80-1 ]

  • Downstream synthetic route of [ 1153279-80-1 ]

[ 1153279-80-1 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 1153279-80-1 ]
  • [ 2674032-50-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 0 °C 2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h / 80 °C
  • 2
  • [ 1153279-80-1 ]
  • [ 2674032-54-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 0 °C 2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h / 80 °C 3: hydrogenchloride / dichloromethane; ethyl acetate / 2 h / 20 °C
  • 3
  • [ 1153279-80-1 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 0 °C 2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h / 80 °C 3: hydrogenchloride / dichloromethane; ethyl acetate / 2 h / 20 °C 4: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C
  • 4
  • [ CAS Unavailable ]
  • [ 1153279-80-1 ]
  • [ 2674032-48-3 ]
YieldReaction ConditionsOperation in experiment
76% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 0℃; for 2h; 2.a Step a: Synthesis of N-methyl-5-bromo-2-fluoro-3-nitrobenzamide (I-1) tir 5-bromo-2-fluoro-3-nitrobenzoic acid (0.8g, 3.80mmol) at 0°CSolution in dichloromethane (20 mL).Then, HATU (2.0g, 5.25mmol) was added to the reaction,DIPEA (1.88ml, 11.4mmol) andMethylamine hydrochloride (0.31 g, 4.5 mmol).At 0°C, the mixture was stirred for 2 hours, and the mixture became clear.The mixture was extracted three times with dichloromethane, and the combined organic layer was washed with saturated brine solution.Then, the organic phase was dried over anhydrous Na2SO4 and concentrated under vacuum.Finally, the mixture is purified by chromatography,Compound I-1 (0.8 g, yield 76%) was obtained as a yellow solid.
  • 5
  • [ 1153279-80-1 ]
  • [ 2734729-60-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: methanol / 2 h / 20 °C / Inert atmosphere 2: N,N,N′,N′-tetramethyl-N″-tert-butylguanidine / acetonitrile / 2 h / 50 °C 3: trifluoroacetic acid; triethylsilane / 5 h / 90 °C 4: acetic acid; ammonium chloride; iron / ethanol / 1 h / 50 - 80 °C 5: pyridine / acetonitrile / 73 h 6: methanesulfonic acid / 16 h / 60 °C
  • 6
  • [ 1153279-80-1 ]
  • [ 2733574-80-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 9 steps 1: methanol / 2 h / 20 °C / Inert atmosphere 2: N,N,N′,N′-tetramethyl-N″-tert-butylguanidine / acetonitrile / 2 h / 50 °C 3: trifluoroacetic acid; triethylsilane / 5 h / 90 °C 4: acetic acid; ammonium chloride; iron / ethanol / 1 h / 50 - 80 °C 5: pyridine / acetonitrile / 73 h 6: methanesulfonic acid / 16 h / 60 °C 7: bis-triphenylphosphine-palladium(II) chloride; potassium acetate / 1,4-dioxane / 14 h / 25 - 90 °C / Inert atmosphere 8: urea hydrogen peroxide adduct / acetonitrile / 12 h / 25 °C / Inert atmosphere 9: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 0.33 h / Reflux
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