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Chemical Structure| 127047-77-2 Chemical Structure| 127047-77-2

Structure of 127047-77-2

Chemical Structure| 127047-77-2

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Product Details of [ 127047-77-2 ]

CAS No. :127047-77-2
Formula : C9H15IO4
M.W : 314.12
SMILES Code : ICCC(COC(C)=O)COC(C)=O

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Application In Synthesis of [ 127047-77-2 ]

* 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 [ 127047-77-2 ]

[ 127047-77-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 127047-77-2 ]
  • [ 10310-21-1 ]
  • [ 97845-60-8 ]
  • [ 97845-61-9 ]
YieldReaction ConditionsOperation in experiment
56%; 7% With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20℃; for 18h; A mixture of 2-amino-6-chloropurine (58.9 mmoles, 10 g) and anhydrous potassium carbonate (1.5 eq/mole, 12.22 g) in anhydrous dimethylformamide (240 ml) is added with 2-acetoxymethyl-4-iodo-butyl-1-acetate (58.9 mmol, 18.49 g), prepared according to Example 2. The mixture is stirred at room temperature for 18 h, then water is added (150 ml) and the products are extracted with dichloromethane (3x100 ml). The combined organic phases are washed with a sodium chloride saturated solution (3x100 ml), dried over anhydrous sodium sulfate and then evaporated under reduced pressure. The residue is fractioned by column chromatography (eluent dichloromethane/methanol 97/3) to give two white solids: 9-[4-acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine (11.7 g) and 7-[4-acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine (1.46 g) in yields of 56% and 7%, respectively.9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine: 1H-NMR (CDC13) (d, ppm): 1.80-2.05 (m, 3H, CH and CH2) 2.02 (s, 6H, 2xCH3) 4.08 (d, 4H, 2xCH2O) 4.16 (t, 2H, CH2N) 5.32 (br, 2H, NH2) 7.76 (s, 1H, CH).13C-NMR (CDC13) (d, ppm): 21.43 (2xCH3) 29.44 (CH2) 35.54 (CH) 41.95 (CH2N) 64.22 (2xOCH2) 123.43 (C) 142.66 (C) 151.95 (CH) 154.02 (C) 159.78 (C) 171.47 (2xCO). EI-MS: 355 m/z (M+).7-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine: 1H-NMR (CDC13) (d, ppm): 1.88-2.03 (m, 3H, CH and CH2) 2.02 (s, 6H, 2xCH3) 4.09 (d, 4H, 2xCH2O) 4.41 (t, 2H, CH2N) 5.28 (br, 2H, NH2) 7.99 (s, 1H, CH).13C-NMR (CDC13) (d, ppm): 20.76 (2xCH3) 30.76 (CH2) 35.26 (CH) 44.98 (CH2N) 63.62 (2xOCH2) 114.45 (C) 142.06 (C) 148.38 (C) 159.43 (CH) 164.46 (C) 171.47 (2xCO). EI-MS: 355 m/z (M+).
 

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