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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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Signal Word: | Class: | ||
Precautionary Statements: | UN#: | ||
Hazard Statements: | Packing Group: |
* 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.
Yield | Reaction Conditions | Operation 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 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; |
Yield | Reaction Conditions | Operation 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). |
Yield | Reaction Conditions | Operation 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 |
Yield | Reaction Conditions | Operation 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 |
Yield | Reaction Conditions | Operation 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 |