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Chemical Structure| 1032825-19-6 Chemical Structure| 1032825-19-6

Structure of 1032825-19-6

Chemical Structure| 1032825-19-6

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Product Details of [ 1032825-19-6 ]

CAS No. :1032825-19-6
Formula : C12H21N3O4S
M.W : 303.38
SMILES Code : CS(=O)(OCC1CCN(C2=NC(C(C)C)=NO2)CC1)=O
MDL No. :MFCD22376587

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Application In Synthesis of [ 1032825-19-6 ]

* 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 [ 1032825-19-6 ]

[ 1032825-19-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1032825-19-6 ]
  • [ 1032825-20-9 ]
  • [ 1032823-75-8 ]
YieldReaction ConditionsOperation in experiment
84% With potassium carbonate; In N,N-dimethyl-formamide; at 80℃; for 20h; A mixture of {1-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinyl}methyl methanesulfonate (82.3 g, 271 mmol), 6-[4-(methylsulfonyl)phenyl]-3-pyridinol (71.0 g, 285 mmol), powdered potassium carbonate (118 g, 855 mmol) and N,N-dimethylformamide (750 mL) was mechanically stirred and heated at 80 C. under nitrogen for 20 h. The reaction was cooled to ambient temperature, poured onto ice water (3 L) and allowed to stand for 1 h. The resulting solid was filtered, rinsed with water (2×500 mL) and air-dried. The solid was taken up in dichloromethane (300 mL) and methanol (500 mL). The dichloromethane was slowly removed via rotovap at 55 C. The methanol solution was allowed to stand at ambient temperature for 16 h. The resulting crystalline solid was filtered, rinsed with cold methanol and dried under vacuum at 60 C. for 18 h to afford the desired product (105.7 g, 84%) as a light tan solid. 1H NMR (400 MHz, CDCl3): delta 8.41 (d, 1H, J=2.8 Hz), 8.13 (d, 2H, J=8.6 Hz), 8.01 (d, 2H, J=8.6 Hz), 7.74 (d, 1H, J=8.7 Hz), 7.29 (dd, 1H, Ja=8.7 Hz, Jb=3.0 Hz), 4.24 (d, 2H, J=13.1 Hz), 3.95 (d, 2H, J=6.2 Hz), 3.17-3.04 (m, 5H), 2.94-2.84 (m, 1H), 2.11 (bs, 1H), 1.97 (d, 2H, J=12.6 Hz), 1.54-1.42 (m, 2H), 1.29 (d, 6H, J=7.0 Hz); LRMS (ESI), m/z 457 (M+H).
  • 2
  • [ 1032825-19-6 ]
  • [ 4983-28-2 ]
  • [ 1351341-44-0 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 80℃; for 16h; To a solution of the intermediate in DMF (50mL) was added <strong>[4983-28-2]2-chloropyrimidin-5-ol</strong> (0.78g, 6.0mmol) and potassium carbonate (1.38g, lO.Ommol), and the reaction was heated to 80°C for 16 h. The reaction solvent was concentrated in vacuo and the resulting residue was re-dissolved in EtOAc (300mL). The solution was washed with 1M NaOH solution (2 x 300mL), brine, then dried (MgSC^), and the solvent was removed in vacuo to afford the title compound: RT = 3.55 min, m/z (ES+) = 338.1 [M+ H]+.
 

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