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[ CAS No. 886761-62-2 ] {[proInfo.proName]}

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Chemical Structure| 886761-62-2
Chemical Structure| 886761-62-2
Structure of 886761-62-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 886761-62-2 ]

CAS No. :886761-62-2 MDL No. :MFCD06660330
Formula : C9H10F3NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 221.18 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 886761-62-2 ]

* 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 [ 886761-62-2 ]

[ 886761-62-2 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 1079649-94-7 ]
  • [ 886761-62-2 ]
  • [ 1079657-78-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C 2: butan-1-ol / 160 °C / Microwave irradiation
  • 3
  • [ 619-65-8 ]
  • [ 886761-62-2 ]
  • 4-cyano-N-[2-methoxy-4-(trifluoromethoxy)benzyl]benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
163 mg 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 N,N-dimethyl-formamide at 20℃; 3 Example 3:4-Cyano-N- [2-methoxy-4-(trifluoromethoxy)benzyljbenzamide To a screw-capped vial equipped with a magnetic stir bar were added 4-cyanobenzoic acid (CAS Number: 6 19-65-8) (100 mg, 0.68 mmol), HATU (CAS Number: 148893-10-1) (260 mg, 0.68 mmol), N,N-diisopropylethylamine (236 1tL, 1.36 mmol) and DMF (0.5 mL), followed a solution of (2-methoxy-4-(trifluoromethoxy)phenyl)methanamine (CAS Number: 771582-58-2) (150 mg, 0.68 mmol) in DMF (0.5 mL). This mixture was allowed to stir at room temperature overnight. The reaction mixture was diluted with saturated aqueous sodium bicarbonate solution and extracted with EtOAc. The combined organic extracts were concentrated under a stream of air. The crude residue was purified by silica gel column chromatography (0-80% EtOAc in hexanes gradient) to afford the present invention compound (163 mg). LCMS: RT = 1.04 mm; mlz (M + 1)÷ = 351. 1H NMR (400 MHz, d6-DMSO) ö 9.13-9.16 (m, 1H), 8.02-8.04 (m, 2H), 7.95-7.97 (m, 2H), 7.28 (d, J = 8.4 Hz, 1H), 6.99 (s, 1H), 6.90 (d, J = 8.4 Hz, 1H), 4.42-4.43 (m, 2H), 3.85 (s, 3H).
  • 4
  • [ 886761-62-2 ]
  • 4-(N’-hydroxycarbamimidoyl)-N-(2-methoxy-4-(trifluoromethoxy)benzyl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C 2: triethylamine; hydroxylamine hydrochloride / ethanol / 5 h / 20 °C
  • 5
  • [ 886761-62-2 ]
  • N-[2-methoxy-4-(trifluoromethoxy)benzyl]-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C 2: triethylamine; hydroxylamine hydrochloride / ethanol / 5 h / 20 °C 3: 1,8-diazabicyclo[5.4.0]undec-7-ene / 1,4-dioxane / 2.5 h / 130 °C
  • 6
  • [ 886761-62-2 ]
  • N-[2-methoxy-4-(trifluoromethoxy)benzyl]-4-(1H-tetrazol-5-yl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C 2: hydroxylamine hydrochloride; sodium azide / N,N-dimethyl-formamide / 7 h / 130 °C
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