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Chemical Structure| 1414578-42-9 Chemical Structure| 1414578-42-9

Structure of 1414578-42-9

Chemical Structure| 1414578-42-9

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Product Details of [ 1414578-42-9 ]

CAS No. :1414578-42-9
Formula : C11H10F3N3O3S
M.W : 321.28
SMILES Code : O=S(C(F)(F)F)(OC1=NN(C2=CC=CC=C2)C(N)=C1C)=O

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Application In Synthesis of [ 1414578-42-9 ]

* 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 [ 1414578-42-9 ]

[ 1414578-42-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1414578-42-9 ]
  • [ 628692-15-9 ]
  • [ 1425041-95-7 ]
YieldReaction ConditionsOperation in experiment
46% With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; at 95℃; for 18h;Sealed tube; Step C: Preparation of 3-(2-methoxypyrimidin-5-yl)-4-methyl- 1 -phenyl- 1 H-pyrazol-5-amine: 5-amino-4-methyl- 1 -phenyl- 1 H-pyrazol-3-yl trifluoromethane sulfonate (7.5 g, 23.3 mmol), <strong>[628692-15-9](2-methoxypyrimidin-5-yl)boronic acid</strong> (5.39 g, 35.0 mmol), K2C03 (12.9 g, 93.4 mmol) and Pd(PPh3)4 (2.7 g, 2.33 mmol) were combined in toluene (40 mL), water (20 mL) and EtOH (10 mL) and warmed to 95 °C in a sealed tube for 18 hours. The cooled mixture was filtered through GF paper and the filtrate was partitioned between water (200 mL) and EtOAc (200 mL). The aqueous layer was extracted with EtOAc (2 x 100 mL) and the combined organic phases were washed with brine (100 mE), dried over Na2SO4, filtered and concentrated under vacuum. The residue was purified by silica column chromatography eluting with 1percent MeOHJDCM to afford 3-(2-methoxypyrimidin-5-yl)-4- methyl-1-phenyl-1H-pyrazol-5-amine (4.3 g, 46percent yield) as a foam. MS (apci) mlz = 282.1 (M+H).
  • 2
  • [ 850568-54-6 ]
  • [ 1414578-42-9 ]
  • C21H23N3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% With potassium phosphate; chloro(2-dicyclohexylphosphino-2?,4?,6?-triisopropyl-1,1?-biphenyl)[2-(2?-amino-1,1?-biphenyl?)]palladium(II); In 1,4-dioxane; at 90℃; for 6h; To a solution of Compound V (1.34 g, 4.17 mmol) which can be synthesized in accordance with the knownmethod (WO2012/158413) in 1,4-dioxane (15 mL) were added <strong>[850568-54-6](4-(tert-butoxycarbonyl)phenyl)boronic acid</strong> (1.11 g, 5.00 mmol), potassium phosphate (1.77 g, 8.34 mmol), chloro(2-dicyclohexylphosphino-2?,4?,6?-triisopropyl-1,1?-biphenyl)[2-(2?-amino-1,1?-biphenyl)]palladium(II) (0.033 g, 0.042 mmol), and water (7.5 mL), and the reaction mixture wasstirred at 90°C for 6 hours. Brine was added to the mixture, followed by extraction with ethyl acetate twice. Then, theorganic layer was dried over sodium sulfate. The solvent was distilled off under reduced pressure, and the residue waspurified by silicagel column chromatography (hexane-ethyl acetate) to give Compound 23 (1.21 g, Yield 83percent).1H-NMR (CDCl3) delta: 1.61 (s, 9H), 2.14 (s, 3H), 3.67 (s, 2H), 7.37 (t, J = 7.6Hz, 1H), 7.50 (t, J = 7.6Hz, 2H), 7.64 (d, J =7.6Hz, 2H), 7.79 (d, J = 8.4Hz, 2H), 8.03 (d, J = 8.4Hz, 2H).
 

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