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Chemical Structure| 115051-66-6 Chemical Structure| 115051-66-6

Structure of 115051-66-6

Chemical Structure| 115051-66-6

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Product Details of [ 115051-66-6 ]

CAS No. :115051-66-6
Formula : C5H10O2S
M.W : 134.20
SMILES Code : CC(SCCCO)=O

Safety of [ 115051-66-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335-H227
Precautionary Statements:P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501

Application In Synthesis of [ 115051-66-6 ]

* 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 [ 115051-66-6 ]

[ 115051-66-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 115051-66-6 ]
  • [ 14437-03-7 ]
  • C14H19NO5S2 [ No CAS ]
  • 2
  • [ 115051-66-6 ]
  • [ 86357-14-4 ]
  • C20H27N5O8S [ No CAS ]
YieldReaction ConditionsOperation in experiment
20% To a suspension of acetylated ganciclovir, 2 (0.38 g, 1.0 mmol) in dry THF (10 mL) were subsequently added under stirring triphenylphosphane (0.314 g, 1.2 mmol) and acetyl protected thiopropanol (0.268 g, 2.0 mmol). Reaction was not clear. After 10 min DIAD (0.4 mL, 2 mmol) dissolved in THF (1 mL) was added dropwise and the mixture become clear and then stirred at 25° C. for 10 hours. THF was evaporated under reduced pressure and the crude reaction mixture was extracted with DCM (3×30 mL) from water. The combined organic layer was washed with brine and dried over anhydrous sodium sulphate, filtered and evaporated to get yellowish oil. The crude product was dissolved in a minimum volume of DCM and added dropwise to cold mixture of ether and hexane (20percent hexane). The phosphine oxide stays in ether and product crushed out from ether, centrifuged and dissolved in DCM/MeOH, TLC showed little phosphine oxide and product and unreacted ganciclovir. The crude product loaded on silica gel column and purified by 1-2percent Methanol/Dichloromethane (0.098 g, yield 20percent). 1H NMR (CDCl3, 400 MHz): delta 8.10 (s, 1H), 7.97 (m, 1H), 5.65 (s, 2H), 4.59 (t, 2H, J=6.2 Hz), 4.12 (m, 5H), 3.07 (t, 2H, J=7.1 Hz), 2.58 (s, 3H), 2.34 (s, 3H), 2.17 (m, 2H), 1.98 (m, 6H). 13C NMR (101 MHz, CDCl3): delta 195.6, 170.5, 161.0, 153.3, 152.6, 141.5, 132.0, 128.6, 74.8, 71.9 66.1, 63.0, 28.9, 25.7, 25.7, 20.6. ESI-LC/MS: Expected [M+H]+ for C20H27N5O8S is 498.16, found m/z: 498.08 [M+H]+.
 

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