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Chemical Structure| 5463-09-2 Chemical Structure| 5463-09-2

Structure of 5463-09-2

Chemical Structure| 5463-09-2

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Product Details of [ 5463-09-2 ]

CAS No. :5463-09-2
Formula : C9H14N6
M.W : 206.25
SMILES Code : NC1=C2N=CNC2=NC(NCCCC)=N1
MDL No. :MFCD24553067

Safety of [ 5463-09-2 ]

Application In Synthesis of [ 5463-09-2 ]

* 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 [ 5463-09-2 ]

[ 5463-09-2 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 5463-09-2 ]
  • [ 23784-96-5 ]
  • [ 1027909-56-3 ]
  • 2
  • [ 5463-09-2 ]
  • [ 558-42-9 ]
  • 1-(6-amino-2-butylamino-purin-9-yl)-2-methyl-propan-2-ol [ No CAS ]
  • 3
  • [ 5463-09-2 ]
  • [ 54127-31-0 ]
  • [ 1059071-89-4 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 4.0h; 2-Butylaminoadenine (300 mg, 1.5 mmol), 5-chloromethyl-2, 3-dimethylpyridine (400 mg, 2 mmol) and potassium carbonate (420 mg, 3 mmol) were added to DMF (5 mL), and the mixture was heated at 60C for 4 hours, and the solvent was evaporated. To the residue were added water and chloroform, and the mixture was separated. The organic phase was dried over magnesium sulfate. The residue was purified by silica gel column chromatography (CHC13/MeOH=50/1) to give a white solid (480 mg). The obtained solid and bromine (320 mg, 2 mmol) were added to chloroform (10 mL), and the mixture was stirred under ice-cooling for 2 hours. The precipitated yellow solid was collected by filtration, and thereto was added 12N hydrochloric acid, and the mixture was refluxed for 6 hours. The solvent was evaporated under reduced pressure, and neutralized with a 28 % aqueous ammonia to give 2-butylamino-9-(5, 6-dichloropyridin-3-ylmethyl)-8-oxoadenine as a white solid (350 mg). This solid (200 mg, 0.5 mmol) and N-methylpiperazine (5 mL) were heated at 130 for 3 hours. The solvent was evaporated under reduced pressure, and thereto was added water. The precipitated solid was collected by filtration, and purified by silica gel column chromatography (CHCl3/MeOH=100/3) to give the title compound (114 mg, 50 %). 1H NMR (DMSO-d6) δ 9.64 (1H, s), 8.19 (1H, d, J = 1.8 Hz), 7.73 (1H, d, J = 1.8 Hz), 6.24 (1H, t, J = 5.6 Hz), 6.02 (2H, s), 4.75 (2H, s), 3.18 (4H, m), 2.44 (4H, t, J = 4.4 Hz), 2.21 (3H, s), 1.47 (2H, m), 1.30 (2H, m), 0.88 (3H, t, J = 7.2 Hz).
  • 4
  • [ 5463-09-2 ]
  • [ 175464-51-4 ]
  • [ 1421583-16-5 ]
 

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