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Chemical Structure| 1407429-97-3 Chemical Structure| 1407429-97-3

Structure of 1407429-97-3

Chemical Structure| 1407429-97-3

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Product Details of [ 1407429-97-3 ]

CAS No. :1407429-97-3
Formula : C6H9IN2O
M.W : 252.05
SMILES Code : COCCN1N=CC(I)=C1

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Application In Synthesis of [ 1407429-97-3 ]

* 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 [ 1407429-97-3 ]

[ 1407429-97-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1407429-97-3 ]
  • [ 73183-34-3 ]
  • [ 847818-71-7 ]
YieldReaction ConditionsOperation in experiment
48% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide; at 80℃;Inert atmosphere; A mixture of 4-iodo-1- (2-methoxyethyl) -1H-pyrazole (1.00 g, 3.97 mmol) , bis (pinacolato) diboron (1.51 g, 5.95 mmol) , potassium acetate (1.2 g, 12.00 mmol) and PdCl2(dppf)2(150 mg, 0.20 mmol) in DMSO (20 mL) was stirred at 80 under N2overnight. The mixture was cooled to rt and quenched with water (50 mL) . The resulting mixture was extracted with EtOAc (50 mL × 3) . The combined organic layers were washed with saturated aqueous NaCl (50 mL × 2) , dried over anhydrous Na2SO4and concentrated in vacuo. The residue was purified by silica gel column chromatography eluted with PE/EtOAc (v/v) 1/2 to give a light yellow oily product (480 mg, 48.0) .[0924]MS (ESI, pos. ion) m/z: 253.3 [M+1]+ and[0925]1H NMR (400 MHz, CDCl3) : delta (ppm) 7.80 (s, 1H) , 7.77 (s, 1H) , 4.31 (t, J 5.3 Hz, 2H) , 3.75 (t, J 5.3 Hz, 2H) , 3.33 (s, 3H) , 1.25 (s, 12H)
  • 2
  • [ 61676-62-8 ]
  • [ 1407429-97-3 ]
  • [ 847818-71-7 ]
YieldReaction ConditionsOperation in experiment
To a solution of i-PrMgCl (2 M in THF, 10 mL, 20 mmol) at 0 °C was added slowly a solution of S9 (2.51 g, 10 mmol) in THF (100mL). The resulting solution was stirred at this temperature under Ar for 1 h. 2-isopropoxy-4,4,5,5-tetramethyl[1,3,2]dioxaborolane(2.8 g, 15 mmol) was then added slowly to maintain the temperature below 0 °C. After the addition, the reaction was stirred at room temperature for 1.5 h and then quenched slowly by the addition of aqueous ammonium chloride solution (80 mL). To the mixture was added H2O (80 mL), and extraction was done twice with EtOAc(100 mL). The organic layer was washed with brine, dried over anhydrous sodium sulfate, and the solvent was concentrated to provide S10 as a pale yellow oil. MS (ESI) m/z: 253.2 [M+H]+
 

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